Vitas-M small molecule compound
2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dimethoxyphenyl)ethanone
Catalog ID
STK336243
SMILES COc1cc(ccc1OC)C(=O)CSc1nnc(n1C)c1ccc(cc1)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 C19H18ClN3O3S MW 403.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O3S/c1-23-18(12-4-7-14(20)8-5-12)21-22-19(23)27-11-15(24)13-6-9-16(25-2)17(10-13)26-3/h4-10H,11H2,1-3H3InChIKey
MQTXDCHWKVRUGM-UHFFFAOYSA-NSynonyms
2((5(4CHLOROPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
2((5(4CHLOROPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(34DIMETHOXYPHENYL)ETHANONE
CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)OC)OC)C3=CC=C(C=C3)Cl
InChI=1SC19H18ClN3O3Sc12318(124714(20)8512)212219(23)271115(24)136916(252)17(1013)263h410H11H213H3
MFCD07216661
ZINC000003485717
ZINC03485717
ZINC3485717
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