Analyte Name

1-((4-chloro-2-(morpholinomethyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl)-1-(2,6-difluoro-3,5-bis(methoxy-d3)phenyl)-3-ethylurea

Molecular Formula

C30H26D6ClF2N5O6S

Molecular Weight

670.2

Accurate Mass

669.21

SMILES

O=C(NCC)N(CC1=CN=C(N(S(=O)(C2=CC=CC=C2)=O)C(CN3CCOCC3)=C4)C4=C1Cl)C5=C(F)C(OC([2H])([2H])[2H])=CC(OC([2H])([2H])[2H])=C5F

InChI

InChI=1S/C30H32ClF2N5O6S/c1-4-34-30(39)37(28-26(32)23(42-2)15-24(43-3)27(28)33)17-19-16-35-29-22(25(19)31)14-20(18-36-10-12-44-13-11-36)38(29)45(40,41)21-8-6-5-7-9-21/h5-9,14-16H,4,10-13,17-18H2,1-3H3,(H,34,39)/i2D3,3D3

IUPAC

1-((4-chloro-2-(morpholinomethyl)-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl)-1-(2,6-difluoro-3,5-bis(methoxy-d3)phenyl)-3-ethylurea

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat