Vitas-M small molecule compound
(2E)-3-(2-chlorophenyl)-N-{[5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]methyl}prop-2-enamide
Catalog ID
STK135844
SMILES COc1ccccc1NC(=O)CSc1nnc(n1C)CNC(=O)/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 C22H22ClN5O3S MW 471.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3S/c1-28-19(13-24-20(29)12-11-15-7-3-4-8-16(15)23)26-27-22(28)32-14-21(30)25-17-9-5-6-10-18(17)31-2/h3-12H,13-14H2,1-2H3,(H,24,29)(H,25,30)/b12-11+InChIKey
FDKXBMTVGDHZOJ-VAWYXSNFSA-NSynonyms
(2E)3(2CHLOROPHENYL)N((5((2((2METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)METHYL)PROP2ENAMIDE
(E)3(2CHLOROPHENYL)N((5(2(2METHOXYANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)METHYL)PROP2ENAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC(=O)C=CC3=CC=CC=C3Cl
COc1ccccc1NC(=O)CSc1nnc(n1C)CNC(=O)C=Cc1ccccc1Cl
InChI=1SC22H22ClN5O3Sc12819(132420(29)121115734816(15)23)262722(28)321421(30)25179561018(17)312h312H1314H212H3(H2429)(H2530)b1211+
MFCD04336449
ZINC000009260487
ZINC09260487
ZINC9260487
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