Vitas-M small molecule compound
4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-(4-methylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK506469
SMILES Cc1ccc(cc1)c1nnc(n1/N=C/c1ccc2c(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 C17H14N4O2S MW 338.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O2S/c1-11-2-5-13(6-3-11)16-19-20-17(24)21(16)18-9-12-4-7-14-15(8-12)23-10-22-14/h2-9H,10H2,1H3,(H,20,24)/b18-9+InChIKey
LCXGCAMIKIESRY-GIJQJNRQSA-NSynonyms
4(((E)13benzodioxol5ylmethylidene)amino)5(4methylphenyl)4H124triazole3thiol
4((E)13benzodioxol5ylmethylideneamino)3(4methylphenyl)1H124triazole5thione
CC1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC4=C(C=C3)OCO4
Cc1ccc(cc1)c1nnc(n1N=Cc1ccc2c(c1)OCO2)S
InChI=1SC17H14N4O2Sc1112513(6311)16192017(24)21(16)18912471415(812)23102214h29H10H21H3(H2024)b189+
MFCD01018319
ZINC000005417070
ZINC96505574
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