Vitas-M small molecule compound
cyclohexyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK047390
SMILES CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCCC1)C
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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 C32H37NO5S MW 547.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO5S/c1-19-29(32(35)38-23-8-6-5-7-9-23)30(20-10-13-24(39-4)14-11-20)31-25(33-19)16-22(17-26(31)34)21-12-15-27(36-2)28(18-21)37-3/h10-15,18,22-23,30,33H,5-9,16-17H2,1-4H3InChIKey
UPGDPHFLEWIHCA-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)SC)C(=O)OC5CCCCC5
CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCCC1)C
cyclohexyl7(34dimethoxyphenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
cyclohexyl7(34dimethoxyphenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H37NO5Sc11929(32(35)38238657923)30(20101324(394)141120)3125(3319)1622(1726(31)34)21121527(362)28(1821)373h10151822233033H591617H214H3
MFCD02224164
STK047390
ZINC000100704629
ZINC000100704651
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