Vitas-M small molecule compound
5-(2-chlorobenzyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK447181
SMILES Sc1nnc(n1c1ccc2c(c1)OCCO2)Cc1ccccc1Cl
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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 C17H14ClN3O2S MW 359.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN3O2S/c18-13-4-2-1-3-11(13)9-16-19-20-17(24)21(16)12-5-6-14-15(10-12)23-8-7-22-14/h1-6,10H,7-9H2,(H,20,24)InChIKey
FDDPXLKOGZQQBC-UHFFFAOYSA-NSynonyms
3((2chlorophenyl)methyl)4(23dihydro14benzodioxin6yl)1H124triazole5thione
4(2H3HBENZO(34E)14DIOXAN6YL)5((2CHLOROPHENYL)METHYL)124TRIAZOLE3THIOL
5(2chlorobenzyl)4(23dihydro14benzodioxin6yl)4H124triazole3thiol
C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CC4=CC=CC=C4Cl
InChI=1SC17H14ClN3O2Sc1813421311(13)916192017(24)21(16)12561415(1012)23872214h1610H79H2(H2024)
MFCD04059971
ZINC000006829322
ZINC06829322
ZINC6829322
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