Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[5-({2-[(4-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Catalog ID
STK131061
SMILES O=C(NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1)Cl)/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 C21H19Cl2N5O2S MW 476.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N5O2S/c1-28-18(12-24-19(29)11-6-14-4-2-3-5-17(14)23)26-27-21(28)31-13-20(30)25-16-9-7-15(22)8-10-16/h2-11H,12-13H2,1H3,(H,24,29)(H,25,30)/b11-6+InChIKey
PWWHQFYUMCWCPM-IZZDOVSWSA-NSynonyms
5548-76-5(2E)3(2CHLOROPHENYL)N((5((2((4CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)PROP2ENAMIDE
(E)N((5(2(4CHLOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3(2CHLOROPHENYL)PROP2ENAMIDE
5548765
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)CNC(=O)C=CC3=CC=CC=C3Cl
InChI=1SC21H19Cl2N5O2Sc12818(122419(29)11614423517(14)23)262721(28)311320(30)25169715(22)81016h211H1213H21H3(H2429)(H2530)b116+
MFCD04341572
O=C(NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1)Cl)C=Cc1ccccc1Cl
ZINC000009260406
ZINC09260406
ZINC9260406
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