Vitas-M small molecule compound
methyl 4-{4-methoxy-3-[(4-methylphenoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK961101
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)COc1ccc(cc1)C)OC)C(=O)CCC2
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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/c1-16-8-11-20(12-9-16)33-15-19-14-18(10-13-23(19)31-3)25-24(27(30)32-4)17(2)28-21-6-5-7-22(29)26(21)25/h8-14,25,28H,5-7,15H2,1-4H3InChIKey
QAHHOYDDXXGFCG-UHFFFAOYSA-NSynonyms
445033-47-6445033476
CC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C3C4=C(CCCC4=O)NC(=C3C(=O)OC)C)OC
InChI=1SC27H29NO5c11681120(12916)3315191418(101323(19)313)2524(27(30)324)17(2)282165722(29)26(21)25h8142528H5715H214H3
methyl4(4methoxy3((4methylphenoxy)methyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
methyl4(4methoxy3((4methylphenoxy)methyl)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
MFCD02243915
ZINC000013882321
ZINC000013882322
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