Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-fluorophenyl)acetamide
Catalog ID
STK231000
SMILES O=C(Nc1ccc(cc1F)Cl)CSc1nnc(n1C)c1ccc2c(c1)OCO2
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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 C18H14ClFN4O3S MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClFN4O3S/c1-24-17(10-2-5-14-15(6-10)27-9-26-14)22-23-18(24)28-8-16(25)21-13-4-3-11(19)7-12(13)20/h2-7H,8-9H2,1H3,(H,21,25)InChIKey
KXDTYJFIIBIFBU-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)N(4CHLORO2FLUOROPHENYL)ACETAMIDE
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)N(4chloro2fluorophenyl)acetamide
CN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC4=C(C=C3)OCO4
InChI=1SC18H14ClFN4O3Sc12417(10251415(610)2792614)222318(24)28816(25)21134311(19)712(13)20h27H89H21H3(H2125)
MFCD07791792
ZINC000009289975
ZINC09289975
ZINC9289975
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