Vitas-M small molecule compound
2-{[4-cyclohexyl-5-(3,4-dimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
Catalog ID
STK244465
SMILES COc1ccc(cc1)C(=O)CSc1nnc(n1C1CCCCC1)c1ccc(c(c1)OC)OC
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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 C25H29N3O4S MW 467.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O4S/c1-30-20-12-9-17(10-13-20)21(29)16-33-25-27-26-24(28(25)19-7-5-4-6-8-19)18-11-14-22(31-2)23(15-18)32-3/h9-15,19H,4-8,16H2,1-3H3InChIKey
AYROEHMPBJSIML-UHFFFAOYSA-NSynonyms
2((4CYCLOHEXYL5(34DIMETHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((4cyclohexyl5(34dimethoxyphenyl)4H124triazol3yl)sulfanyl)1(4methoxyphenyl)ethanone
COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=C(C=C4)OC)OC
InChI=1SC25H29N3O4Sc1302012917(101320)21(29)163325272624(28(25)197546819)18111422(312)23(1518)323h91519H4816H213H3
MFCD06621696
ZINC000013843430
ZINC13843430
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