Vitas-M small molecule compound
5-(1,3-benzodioxol-5-yl)-4-benzyl-4H-1,2,4-triazole-3-thiol
Catalog ID
STK449999
SMILES Sc1nnc(n1Cc1ccccc1)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 C16H13N3O2S MW 311.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S/c22-16-18-17-15(19(16)9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)21-10-20-13/h1-8H,9-10H2,(H,18,22)InChIKey
CXSJKZINCOFBEI-UHFFFAOYSA-NSynonyms
3(13BENZODIOXOL5YL)4BENZYL1H124TRIAZOLE5THIONE
5(13BENZODIOXOL5YL)4BENZYL24DIHYDRO3H124TRIAZOLE3THIONE
5(13benzodioxol5yl)4benzyl4H124triazole3thiol
5(2HBENZO(34D)13DIOXOLEN5YL)4BENZYL124TRIAZOLE3THIOL
C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3CC4=CC=CC=C4
InChI=1SC16H13N3O2Sc2216181715(19(16)9114213511)12671314(812)21102013h18H910H2(H1822)
MFCD03468304
ZINC000005647312
ZINC5647312
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