Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[5-({2-[(2-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Catalog ID
STK131148
SMILES O=C(NCc1nnc(n1C)SCC(=O)Nc1ccccc1Cl)/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)11-10-14-6-2-3-7-15(14)22)26-27-21(28)31-13-20(30)25-17-9-5-4-8-16(17)23/h2-11H,12-13H2,1H3,(H,24,29)(H,25,30)/b11-10+InChIKey
RDEKYJQHMSWHMU-ZHACJKMWSA-NSynonyms
(2E)3(2CHLOROPHENYL)N((5((2((2CHLOROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)PROP2ENAMIDE
(E)N((5(2(2CHLOROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)3(2CHLOROPHENYL)PROP2ENAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Cl)CNC(=O)C=CC3=CC=CC=C3Cl
InChI=1SC21H19Cl2N5O2Sc12818(122419(29)111014623715(14)22)262721(28)311320(30)2517954816(17)23h211H1213H21H3(H2429)(H2530)b1110+
MFCD04334482
O=C(NCc1nnc(n1C)SCC(=O)Nc1ccccc1Cl)C=Cc1ccccc1Cl
ZINC000009260526
ZINC09260526
ZINC9260526
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