Vitas-M small molecule compound
4-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK629209
SMILES Fc1ccc(cc1)c1n[nH]c(=S)n1Cc1ccc2c(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 C16H12FN3O2S MW 329.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12FN3O2S/c17-12-4-2-11(3-5-12)15-18-19-16(23)20(15)8-10-1-6-13-14(7-10)22-9-21-13/h1-7H,8-9H2,(H,19,23)InChIKey
SHSMGRCNJXDGPC-UHFFFAOYSA-NSynonyms
951988-64-04(13benzodioxol5ylmethyl)3(4fluorophenyl)1H124triazole5thione
4(13benzodioxol5ylmethyl)5(4fluorophenyl)24dihydro3H124triazole3thione
951988640
C1OC2=C(O1)C=C(C=C2)CN3C(=NNC3=S)C4=CC=C(C=C4)F
Fc1ccc(cc1)c1n(nH)c(=S)n1Cc1ccc2c(c1)OCO2
InChI=1SC16H12FN3O2Sc17124211(3512)15181916(23)20(15)810161314(710)2292113h17H89H2(H1923)
MFCD18159312
ZINC000013730272
ZINC13730272
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