Vitas-M small molecule compound

1-{[(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetyl](4-methoxyphenyl)amino}-N-(4-methoxyphenyl)cyclohexanecarboxamide

Catalog ID
STK679233
SMILES COc1ccc(cc1)N(C1(CCCCC1)C(=O)Nc1ccc(cc1)OC)C(=O)CSc1[nH]c2c(n1)nccc2

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C29H31N5O4S MW 545.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S/c1-37-22-12-8-20(9-13-22)31-27(36)29(16-4-3-5-17-29)34(21-10-14-23(38-2)15-11-21)25(35)19-39-28-32-24-7-6-18-30-26(24)33-28/h6-15,18H,3-5,16-17,19H2,1-2H3,(H,31,36)(H,30,32,33)
InChIKey
DTXFLUFVYVWVOF-UHFFFAOYSA-N
Synonyms

1(((1Himidazo(45b)pyridin2ylsulfanyl)acetyl)(4methoxyphenyl)amino)N(4methoxyphenyl)cyclohexanecarboxamide
1(N(2(1HIMIDAZO(45B)PYRIDIN2YLSULFANYL)ACETYL)4METHOXYANILINO)N(4METHOXYPHENYL)CYCLOHEXANE1CARBOXAMIDE
2IMIDAZO(45B)PYRIDIN2YLTHION(4METHOXYPHENYL)N((N(4METHOXYPHENYL)CARBAMOYL)CYCLOHEXYL)ACETAMIDE
COC1=CC=C(C=C1)NC(=O)C2(CCCCC2)N(C3=CC=C(C=C3)OC)C(=O)CSC4=NC5=C(N4)C=CC=N5
COc1ccc(cc1)N(C1(CCCCC1)C(=O)Nc1ccc(cc1)OC)C(=O)CSc1(nH)c2c(n1)nccc2
InChI=1SC29H31N5O4Sc1372212820(91322)3127(36)29(164351729)34(21101423(382)151121)25(35)193928322476183026(24)3328h61518H35161719H212H3(H3136)(H303233)
MFCD03408872
ZINC000008567162
ZINC8567162

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.