Vitas-M small molecule compound
5-(3,4-diethoxybenzyl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK307386
SMILES CCOc1cc(ccc1OCC)Cc1nnc(n1c1cccc(c1C)C)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 C21H25N3O2S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O2S/c1-5-25-18-11-10-16(12-19(18)26-6-2)13-20-22-23-21(27)24(20)17-9-7-8-14(3)15(17)4/h7-12H,5-6,13H2,1-4H3,(H,23,27)InChIKey
UOIOCKKCEYTRKV-UHFFFAOYSA-NSynonyms
828291-82-33((34DIETHOXYPHENYL)METHYL)4(23DIMETHYLPHENYL)1H124TRIAZOLE5THIONE
5(34diethoxybenzyl)4(23dimethylphenyl)4H124triazole3thiol
828291823
CCOC1=C(C=C(C=C1)CC2=NNC(=S)N2C3=CC=CC(=C3C)C)OCC
InChI=1SC21H25N3O2Sc152518111016(1219(18)2662)1320222321(27)24(20)1797814(3)15(17)4h712H5613H214H3(H2327)
MFCD04053667
ZINC000006910679
ZINC06910679
ZINC6910679
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