Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-{[(4-fluorobenzyl)sulfanyl]methyl}-4H-1,2,4-triazole-3-thiol
Catalog ID
STK446436
SMILES Fc1ccc(cc1)CSCc1nnc(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 C17H14FN3O2S2 MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14FN3O2S2/c18-12-3-1-11(2-4-12)8-25-9-16-19-20-17(24)21(16)13-5-6-14-15(7-13)23-10-22-14/h1-7H,8-10H2,(H,20,24)InChIKey
LBGALOPECKIQNS-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)3((4fluorophenyl)methylsulfanylmethyl)1H124triazole5thione
4(13benzodioxol5yl)5(((4fluorobenzyl)sulfanyl)methyl)4H124triazole3thiol
4(2HBENZO(34D)13DIOXOLAN5YL)5(((4FLUOROPHENYL)METHYLTHIO)METHYL)124TRIAZOLE3THIOL
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)CSCC4=CC=C(C=C4)F
InChI=1SC17H14FN3O2S2c18123111(2412)825916192017(24)21(16)13561415(713)23102214h17H810H2(H2024)
MFCD04058640
ZINC000006829090
ZINC06829090
ZINC6829090
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