Vitas-M small molecule compound
butan-2-yl 4-[3-(benzyloxy)-4-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK058614
SMILES CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCc1ccccc1)OC)C(=O)CCC2)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/c1-5-18(2)35-29(32)26-19(3)30-22-12-9-13-23(31)28(22)27(26)21-14-15-24(33-4)25(16-21)34-17-20-10-7-6-8-11-20/h6-8,10-11,14-16,18,27,30H,5,9,12-13,17H2,1-4H3InChIKey
LILXGZRURPDBBC-UHFFFAOYSA-NSynonyms
butan2yl4(3(benzyloxy)4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl4(4methoxy3phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)OCC4=CC=CC=C4)C(=O)CCC2)C
CCC(OC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)OCc1ccccc1)OC)C(=O)CCC2)C
InChI=1SC29H33NO5c1518(2)3529(32)2619(3)30221291323(31)28(22)27(26)21141524(334)25(1621)341720107681120h6810111416182730H59121317H214H3
MFCD02188007
STK058614
ZINC000001213010
ZINC000001213022
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