Vitas-M small molecule compound
5-benzyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447166
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)Cc1ccccc1
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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 C17H15N3O2S MW 325.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O2S/c23-17-19-18-16(10-12-4-2-1-3-5-12)20(17)13-6-7-14-15(11-13)22-9-8-21-14/h1-7,11H,8-10H2,(H,19,23)InChIKey
PJTPOAATNMLIJW-UHFFFAOYSA-NSynonyms
3benzyl4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5BENZYL124TRIAZOLE3THIOL
5benzyl4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CC4=CC=CC=C4
InChI=1SC17H15N3O2Sc2317191816(10124213512)20(17)13671415(1113)22982114h1711H810H2(H1923)
MFCD04059853
ZINC000006402895
ZINC06402895
ZINC6402895
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