Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Catalog ID
STK208571
SMILES O=C(c1ccc2c(c1)OCCO2)CSc1nncn1C
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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 C13H13N3O3S MW 291.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O3S/c1-16-8-14-15-13(16)20-7-10(17)9-2-3-11-12(6-9)19-5-4-18-11/h2-3,6,8H,4-5,7H2,1H3InChIKey
SHFGSJOGLFGDSJ-UHFFFAOYSA-NSynonyms
1(23DIHYDRO14BENZODIOXIN6YL)2((4METHYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDRO14BENZODIOXIN6YL)2((4METHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
1(23DIHYDRO14BENZODIOXIN6YL)2((4METHYL4H124TRIAZOL3YL)THIO)ETHANONE
CN1C=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3
InChI=1SC13H13N3O3Sc1168141513(16)20710(17)9231112(69)19541811h2368H457H21H3
MFCD05996258
ZINC000004776342
ZINC04776342
ZINC4776342
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