Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[4-methyl-5-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Catalog ID
STK138680
SMILES O=C(NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)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 C22H22ClN5O2S MW 455.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O2S/c1-15-6-5-8-17(12-15)25-21(30)14-31-22-27-26-19(28(22)2)13-24-20(29)11-10-16-7-3-4-9-18(16)23/h3-12H,13-14H2,1-2H3,(H,24,29)(H,25,30)/b11-10+InChIKey
CYUAFKVPGDHEJW-ZHACJKMWSA-NSynonyms
(2E)3(2CHLOROPHENYL)N((4METHYL5((2((3METHYLPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)PROP2ENAMIDE
(E)3(2CHLOROPHENYL)N((4METHYL5(2(3METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)PROP2ENAMIDE
CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)C=CC3=CC=CC=C3Cl
InChI=1SC22H22ClN5O2Sc11565817(1215)2521(30)143122272619(28(22)2)132420(29)111016734918(16)23h312H1314H212H3(H2429)(H2530)b1110+
MFCD04335035
O=C(NCc1nnc(n1C)SCC(=O)Nc1cccc(c1)C)C=Cc1ccccc1Cl
ZINC000009260394
ZINC09260394
ZINC9260394
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