Vitas-M small molecule compound
2-methoxyethyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK034369
SMILES COCCOC(=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 C29H33NO6S MW 523.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO6S/c1-17-26(29(32)36-13-12-33-2)27(18-6-9-21(37-5)10-7-18)28-22(30-17)14-20(15-23(28)31)19-8-11-24(34-3)25(16-19)35-4/h6-11,16,20,27,30H,12-15H2,1-5H3InChIKey
RAAIQOCQOWLLML-UHFFFAOYSA-NSynonyms
2methoxyethyl7(34dimethoxyphenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
2methoxyethyl7(34dimethoxyphenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)SC)C(=O)OCCOC
COCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)SC)C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC29H33NO6Sc11726(29(32)361312332)27(186921(375)10718)2822(3017)1420(1523(28)31)1981124(343)25(1619)354h61116202730H1215H215H3
MFCD02224261
STK034369
ZINC000019881849
ZINC000019881858
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