Vitas-M small molecule compound
propan-2-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK049693
SMILES COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-17(2)34-28(31)25-18(3)29-21-11-8-12-22(30)27(21)26(25)20-13-14-23(24(15-20)32-4)33-16-19-9-6-5-7-10-19/h5-7,9-10,13-15,17,26,29H,8,11-12,16H2,1-4H3InChIKey
JNYZALMXPWIHOC-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)OC(C)C
COc1cc(ccc1OCc1ccccc1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC(C)C
InChI=1SC28H31NO5c117(2)3428(31)2518(3)29211181222(30)27(21)26(25)20131423(24(1520)324)33161996571019h579101315172629H8111216H214H3
MFCD00753380
propan2yl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
propan2yl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
STK049693
ZINC000000626785
ZINC000000626790
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