Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(5-bromo-2-hydroxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL354647
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc([nH]1)c1cc(Br)ccc1O
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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 C17H13BrN4O4S MW 449.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O4S/c18-9-1-3-12(23)11(5-9)16-20-17(22-21-16)27-7-15(24)19-10-2-4-13-14(6-10)26-8-25-13/h1-6,23H,7-8H2,(H,19,24)(H,20,21,22)InChIKey
WRFIDIQRTDXHFY-UHFFFAOYSA-NSynonyms
881226-04-6881226046
MFCD06760521
N(13benzodioxol5yl)2((5(5bromo2hydroxyphenyl)4H124triazol3yl)sulfanyl)acetamide
O=C(Nc1ccc2c(c1)OCO2)CSc1nnc((nH)1)c1cc(Br)ccc1O
ZINC000009235394
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