Vitas-M small molecule compound
propyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK035353
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)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 C29H33NO5S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5S/c1-6-13-35-29(32)26-17(2)30-22-14-20(19-9-12-24(33-3)25(16-19)34-4)15-23(31)28(22)27(26)18-7-10-21(36-5)11-8-18/h7-12,16,20,27,30H,6,13-15H2,1-5H3InChIKey
CPVXKOWENCHZRH-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1ccc(c(c1)OC)OC
CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)SC)C(=O)CC(C2)C4=CC(=C(C=C4)OC)OC)C
InChI=1SC29H33NO5Sc16133529(32)2617(2)30221420(1991224(333)25(1619)344)1523(31)28(22)27(26)1871021(365)11818h71216202730H61315H215H3
MFCD02224296
propyl7(34dimethoxyphenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
propyl7(34dimethoxyphenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK035353
ZINC000002771806
ZINC000002771809
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