Vitas-M small molecule compound
4-(4-chlorobenzyl)-5-(3,4,5-triethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448341
SMILES CCOc1cc(cc(c1OCC)OCC)c1nnc(n1Cc1ccc(cc1)Cl)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 C21H24ClN3O3S MW 433.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClN3O3S/c1-4-26-17-11-15(12-18(27-5-2)19(17)28-6-3)20-23-24-21(29)25(20)13-14-7-9-16(22)10-8-14/h7-12H,4-6,13H2,1-3H3,(H,24,29)InChIKey
OWQCJUILLQVUDB-UHFFFAOYSA-NSynonyms
4((4chlorophenyl)methyl)3(345triethoxyphenyl)1H124triazole5thione
4((4CHLOROPHENYL)METHYL)5(345TRIETHOXYPHENYL)124TRIAZOLE3THIOL
4(4chlorobenzyl)5(345triethoxyphenyl)4H124triazole3thiol
CCOC1=CC(=CC(=C1OCC)OCC)C2=NNC(=S)N2CC3=CC=C(C=C3)Cl
InChI=1SC21H24ClN3O3Sc1426171115(1218(2752)19(17)2863)20232421(29)25(20)13147916(22)10814h712H4613H213H3(H2429)
MFCD04139759
ZINC000017098706
ZINC17098706
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