Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(3,5-difluorobenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK788199
SMILES Fc1cc(cc(c1)F)Cc1nnc(n1c1ccc2c(c1)OCO2)S
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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 C16H11F2N3O2S MW 347.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11F2N3O2S/c17-10-3-9(4-11(18)6-10)5-15-19-20-16(24)21(15)12-1-2-13-14(7-12)23-8-22-13/h1-4,6-7H,5,8H2,(H,20,24)InChIKey
NAQKOKCAQXWWGG-UHFFFAOYSA-NSynonyms
1010884-33-94(13benzodioxol5yl)3((35difluorophenyl)methyl)1H124triazole5thione
4(13BENZODIOXOL5YL)5(35DIFLUOROBENZYL)24DIHYDRO3H124TRIAZOLE3THIONE
4(13BENZODIOXOL5YL)5(35DIFLUOROBENZYL)4H124TRIAZOLE3THIOL
4(2H13BENZODIOXOL5YL)5((35DIFLUOROPHENYL)METHYL)124TRIAZOLE3THIOL
4(benzo(d)(13)dioxol5yl)5(35difluorobenzyl)4H124triazole3thiol
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CC4=CC(=CC(=C4)F)F
InChI=1SC16H11F2N3O2Sc171039(411(18)610)515192016(24)21(15)12121314(712)2382213h1467H58H2(H2024)
MFCD12035213
ZINC12324326
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