Vitas-M small molecule compound
1-{4-[3-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}ethanone
Catalog ID
STL494147
SMILES CC(=O)c1ccc(cc1)n1c(S)nnc1c1ccc2c(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 C17H13N3O3S MW 339.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N3O3S/c1-10(21)11-2-5-13(6-3-11)20-16(18-19-17(20)24)12-4-7-14-15(8-12)23-9-22-14/h2-8H,9H2,1H3,(H,19,24)InChIKey
FANXTWFVJZPHHT-UHFFFAOYSA-NSynonyms
920472-12-41(4(3(13benzodioxol5yl)5sulfanyl4H124triazol4yl)phenyl)ethanone
1(4(3(13benzodioxol5yl)5sulfanylidene1H124triazol4yl)phenyl)ethanone
1(4(3(13BENZODIOXOL5YL)5THIOXO15DIHYDRO4H124TRIAZOL4YL)PHENYL)ETHANONE
1(4(3(benzo(d)(13)dioxol5yl)5mercapto4H124triazol4yl)phenyl)ethanone
920472124
CC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC4=C(C=C3)OCO4
InChI=1SC17H13N3O3Sc110(21)112513(6311)2016(181917(20)24)12471415(812)2392214h28H9H21H3(H1924)
MFCD08749490
ZINC000009344715
ZINC9344715
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