Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[5-({2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Catalog ID
STL182194
SMILES O=C(NCc1nnc(n1C)SCC(=O)Nc1sc(c(n1)C)C)/C=C/c1ccccc1Cl
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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 C20H21ClN6O2S2 MW 477.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN6O2S2/c1-12-13(2)31-19(23-12)24-18(29)11-30-20-26-25-16(27(20)3)10-22-17(28)9-8-14-6-4-5-7-15(14)21/h4-9H,10-11H2,1-3H3,(H,22,28)(H,23,24,29)/b9-8+InChIKey
KIJHQFFHCMHOGF-CMDGGOBGSA-NSynonyms
(2E)3(2chlorophenyl)N((5((2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl)4methyl4H124triazol3yl)methyl)prop2enamide
(E)3(2chlorophenyl)N((5(2((45dimethyl13thiazol2yl)amino)2oxoethyl)sulfanyl4methyl124triazol3yl)methyl)prop2enamide
CC1=C(SC(=N1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C=CC3=CC=CC=C3Cl)C
InChI=1SC20H21ClN6O2S2c11213(2)3119(2312)2418(29)113020262516(27(20)3)102217(28)9814645715(14)21h49H1011H213H3(H2228)(H232429)b98+
MFCD22125621
O=C(NCc1nnc(n1C)SCC(=O)Nc1sc(c(n1)C)C)C=Cc1ccccc1Cl
ZINC000072191772
ZINC72191772
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