Vitas-M small molecule compound
4-(4-chlorobenzyl)-5-(5-chloro-2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK448342
SMILES COc1ccc(cc1c1nnc(n1Cc1ccc(cc1)Cl)S)Cl
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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 C16H13Cl2N3OS MW 366.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N3OS/c1-22-14-7-6-12(18)8-13(14)15-19-20-16(23)21(15)9-10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,20,23)InChIKey
DNFLMNZAJQBMTI-UHFFFAOYSA-NSynonyms
3(5chloro2methoxyphenyl)4((4chlorophenyl)methyl)1H124triazole5thione
4(4chlorobenzyl)5(5chloro2methoxyphenyl)4H124triazole3thiol
5(5CHLORO2METHOXYPHENYL)4((4CHLOROPHENYL)METHYL)124TRIAZOLE3THIOL
COC1=C(C=C(C=C1)Cl)C2=NNC(=S)N2CC3=CC=C(C=C3)Cl
InChI=1SC16H13Cl2N3OSc122147612(18)813(14)15192016(23)21(15)9102411(17)5310h28H9H21H3(H2023)
MFCD04140031
ZINC000006847714
ZINC06847714
ZINC6847714
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