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Nitrocefin (>90%)

Product Code

TRC-N493815

CAS Number

41906-86-9

Product Format

Neat

Molecular Formula

C21 H16 N4 O8 S2

Molecular Weight

516.50

Product Categories

TRC, Enzyme activator, inhibitor and substrate reference standards

Product Type

Other

Price and availability

48-hour USA dispatch time
If Exact Weight packaging is selected, a certificate will be delivered with the product, which will indicate the mass of the material dispensed into the vial with a precision of up to 3 decimal places. Exceptions apply.

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Product Information

Chemical Data

Analyte Name

Nitrocefin

CAS Number

41906-86-9

Molecular Formula

C21 H16 N4 O8 S2

Molecular Weight

516.50

Accurate Mass

516.041

SMILES

OC(=O)C1=CCS[C@@H]2[C@H](NC(=O)C(\C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])c4cccs4)C(=O)N12

InChI

InChI=1S/C21H16N4O8S2/c26-18(22-17-19(27)23-14(21(28)29)7-9-35-20(17)23)13(16-2-1-8-34-16)6-4-11-3-5-12(24(30)31)10-15(11)25(32)33/h1-8,10,13,17,20H,9H2,(H,22,26)(H,28,29)/b6-4+/t13?,17-,20-/m1/s1

IUPAC

(6R,7R)-7-[[(E)-4-(2,4-dinitrophenyl)-2-thiophen-2-ylbut-3-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat
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