Vitas-M small molecule compound
2-methylpropyl 4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK010000
SMILES COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(C)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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-17(2)16-35-29(32)26-18(3)30-22-13-21(19-9-7-6-8-10-19)14-23(31)28(22)27(26)20-11-12-24(33-4)25(15-20)34-5/h6-12,15,17,21,27,30H,13-14,16H2,1-5H3InChIKey
POKVBZOMKTUNLC-UHFFFAOYSA-NSynonyms
2methylpropyl4(34dimethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl4(34dimethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)C(=O)OCC(C)C
COc1ccc(cc1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OCC(C)C
InChI=1SC29H33NO5c117(2)163529(32)2618(3)30221321(1997681019)1423(31)28(22)27(26)20111224(334)25(1520)345h6121517212730H131416H215H3
MFCD01445648
STK010000
ZINC000100557375
ZINC000100557379
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