Vitas-M small molecule compound
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)ethanone
Catalog ID
STL505796
SMILES COc1cc(cc(c1OC)OC)C(=O)CSc1[nH]nc(n1)N
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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 C13H16N4O4S MW 324.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4O4S/c1-19-9-4-7(5-10(20-2)11(9)21-3)8(18)6-22-13-15-12(14)16-17-13/h4-5H,6H2,1-3H3,(H3,14,15,16,17)InChIKey
GQUJWQWXMKKCCL-UHFFFAOYSA-NSynonyms
129893210
2((3amino1H124triazol5yl)sulfanyl)1(345trimethoxyphenyl)ethanone
2((5amino1~(H)124triazol3yl)sulfanyl)1(345trimethoxyphenyl)ethanone
InChI=1SC13H16N4O4Sc119947(510(202)11(9)213)8(18)622131512(14)161713h45H6H213H3(H314151617)
MFCD31538608
ZINC000824586798
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