Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK058283
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1ccccc1
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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/c1-5-36-14-13-35-29(32)26-18(2)30-22-15-21(19-9-7-6-8-10-19)16-23(31)28(22)27(26)20-11-12-24(33-3)25(17-20)34-4/h6-12,17,21,27,30H,5,13-16H2,1-4H3InChIKey
DFGFXQXZMGIQRP-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(34dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(34dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)c1ccccc1
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC29H33NO5Sc153614133529(32)2618(2)30221521(1997681019)1623(31)28(22)27(26)20111224(333)25(1720)344h61217212730H51316H214H3
MFCD02375962
STK058283
ZINC000002779796
ZINC000002779799
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