Vitas-M small molecule compound
4-(3-chloro-4-fluorophenyl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK784163
SMILES COc1ccc(cc1)Cc1nnc(n1c1ccc(c(c1)Cl)F)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 C16H13ClFN3OS MW 349.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13ClFN3OS/c1-22-12-5-2-10(3-6-12)8-15-19-20-16(23)21(15)11-4-7-14(18)13(17)9-11/h2-7,9H,8H2,1H3,(H,20,23)InChIKey
NKJMTYHCPGGASR-UHFFFAOYSA-NSynonyms
896674-28-54(3CHLORO4FLUOROPHENYL)3((4METHOXYPHENYL)METHYL)1H124TRIAZOLE5THIONE
4(3CHLORO4FLUOROPHENYL)5(4METHOXYBENZYL)24DIHYDRO3H124TRIAZOLE3THIONE
4(3CHLORO4FLUOROPHENYL)5(4METHOXYBENZYL)4H124TRIAZOLE3THIOL
COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC(=C(C=C3)F)Cl
InChI=1SC16H13ClFN3OSc122125210(3612)815192016(23)21(15)114714(18)13(17)911h279H8H21H3(H2023)
MFCD06601667
ZINC5796059
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