Vitas-M small molecule compound
5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL173906
SMILES COc1ccc(cc1COc1ccccc1Cl)c1nnc(n1c1cccc(c1)OC)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 C23H20ClN3O3S MW 453.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20ClN3O3S/c1-28-18-7-5-6-17(13-18)27-22(25-26-23(27)31)15-10-11-20(29-2)16(12-15)14-30-21-9-4-3-8-19(21)24/h3-13H,14H2,1-2H3,(H,26,31)InChIKey
WVCNHWNGUDJQSZ-UHFFFAOYSA-NSynonyms
828291-57-23(3((2CHLOROPHENOXY)METHYL)4METHOXYPHENYL)4(3METHOXYPHENYL)1H124TRIAZOLE5THIONE
5(3((2chlorophenoxy)methyl)4methoxyphenyl)4(3methoxyphenyl)4H124triazole3thiol
828291572
COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=CC=C3)OC)COC4=CC=CC=C4Cl
InChI=1SC23H20ClN3O3Sc1281875617(1318)2722(252623(27)31)15101120(292)16(1215)143021943819(21)24h313H14H212H3(H2631)
MFCD04056674
ZINC000002793483
ZINC2793483
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