Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372575
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OC)OCc1ccccc1)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 C28H29NO5 MW 459.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO5/c1-4-15-33-28(31)25-18(2)29-21-11-8-12-22(30)27(21)26(25)20-13-14-23(24(16-20)32-3)34-17-19-9-6-5-7-10-19/h4-7,9-10,13-14,16,26,29H,1,8,11-12,15,17H2,2-3H3InChIKey
PBTINZYBEMVPGI-UHFFFAOYSA-NSynonyms
299947-63-0299947630
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OCC=C
InChI=1SC28H29NO5c14153328(31)2518(2)29211181222(30)27(21)26(25)20131423(24(1620)323)34171996571019h479101314162629H1811121517H223H3
MFCD00753178
prop2en1yl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002055287
ZINC000002055288
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