Vitas-M small molecule compound
2-chloro-N-{[4-ethyl-5-({2-[(2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK140028
SMILES COc1ccccc1NC(=O)CSc1nnc(n1CC)CNC(=O)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 C21H22ClN5O3S MW 459.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN5O3S/c1-3-27-18(12-23-20(29)14-8-4-5-9-15(14)22)25-26-21(27)31-13-19(28)24-16-10-6-7-11-17(16)30-2/h4-11H,3,12-13H2,1-2H3,(H,23,29)(H,24,28)InChIKey
QWEXDCNNBFIUTD-UHFFFAOYSA-NSynonyms
2CHLORON((4ETHYL5((2((2METHOXYPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
2CHLORON((4ETHYL5(2(2METHOXYANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)BENZAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)CNC(=O)C3=CC=CC=C3Cl
InChI=1SC21H22ClN5O3Sc132718(122320(29)14845915(14)22)252621(27)311319(28)241610671117(16)302h411H31213H212H3(H2329)(H2428)
MFCD04212700
ZINC000002841029
ZINC02841029
ZINC2841029
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