Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK804096
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1c1ccccc1)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 C24H19N3O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S/c1-29-19-10-7-16(8-11-19)20(28)14-32-24-26-25-23(27(24)18-5-3-2-4-6-18)17-9-12-21-22(13-17)31-15-30-21/h2-13H,14-15H2,1H3InChIKey
TVCCVOSBTAIIEY-UHFFFAOYSA-NSynonyms
325694-33-52((5(13BENZODIOXOL5YL)4PHENYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5(13benzodioxol5yl)4phenyl4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
2((5(BENZO(D)(13)DIOXOL5YL)4PHENYL4H124TRIAZOL3YL)THIO)1(4METHOXYPHENYL)ETHANONE
2(5(2HBENZO(34D)13DIOXOLEN5YL)4PHENYL(124TRIAZOL3YLTHIO))1(4METHOXYPHENYL)ETHAN1ONE
325694335
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5
InChI=1SC24H19N3O4Sc1291910716(81119)20(28)143224262523(27(24)185324618)179122122(1317)31153021h213H1415H21H3
MFCD01948552
ZINC000001096577
ZINC01096577
ZINC1096577
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