Vitas-M small molecule compound
propan-2-yl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK025110
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)C)C(=O)OC(C)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/c1-16(2)35-29(32)26-18(4)30-22-13-21(19-10-11-24(33-5)25(15-19)34-6)14-23(31)28(22)27(26)20-9-7-8-17(3)12-20/h7-12,15-16,21,27,30H,13-14H2,1-6H3InChIKey
GDWCEWASJYQVSY-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC(C)C)C
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1)C)C(=O)OC(C)C)C
InChI=1SC29H33NO5c116(2)3529(32)2618(4)30221321(19101124(335)25(1519)346)1423(31)28(22)27(26)2097817(3)1220h7121516212730H1314H216H3
MFCD02224281
propan2yl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo145678hexahydroquinoline3carboxylate
propan2yl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
STK025110
ZINC000006442927
ZINC000006442981
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