Vitas-M small molecule compound
methyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK019724
SMILES COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)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 C27H29NO5 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO5/c1-15-7-6-8-18(11-15)25-24(27(30)33-5)16(2)28-20-12-19(13-21(29)26(20)25)17-9-10-22(31-3)23(14-17)32-4/h6-11,14,19,25,28H,12-13H2,1-5H3InChIKey
ROTSCGJYQNSWEQ-UHFFFAOYSA-NSynonyms
CC1=CC=CC(=C1)C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC)C
COC(=O)C1=C(C)NC2=C(C1c1cccc(c1)C)C(=O)CC(C2)c1ccc(c(c1)OC)OC
InChI=1SC27H29NO5c11576818(1115)2524(27(30)335)16(2)28201219(1321(29)26(20)25)1791022(313)23(1417)324h61114192528H1213H215H3
methyl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo145678hexahydroquinoline3carboxylate
methyl7(34dimethoxyphenyl)2methyl4(3methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02224232
STK019724
ZINC000006442929
ZINC000006442984
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