Vitas-M small molecule compound

4-chloro-N-{[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

Catalog ID
STK139564
SMILES N#Cc1c(NC(=O)CSc2nnc(n2c2ccccc2)CNC(=O)c2ccc(cc2)Cl)sc2c1CCCC2

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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 C27H23ClN6O2S2 MW 563.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN6O2S2/c28-18-12-10-17(11-13-18)25(36)30-15-23-32-33-27(34(23)19-6-2-1-3-7-19)37-16-24(35)31-26-21(14-29)20-8-4-5-9-22(20)38-26/h1-3,6-7,10-13H,4-5,8-9,15-16H2,(H,30,36)(H,31,35)
InChIKey
VMAIIGQLYANNES-UHFFFAOYSA-N
Synonyms

4chloroN((5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4phenyl4H124triazol3yl)methyl)benzamide
4chloroN((5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4phenyl124triazol3yl)methyl)benzamide
C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)CNC(=O)C5=CC=C(C=C5)Cl)C#N
InChI=1SC27H23ClN6O2S2c2818121017(111318)25(36)301523323327(34(23)196213719)371624(35)312621(1429)20845922(20)3826h13671013H45891516H2(H3036)(H3135)
MFCD04382514
ZINC000002855088
ZINC2855088

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Available files

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