Vitas-M small molecule compound
butyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK364286
SMILES CCCCOC(=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 C29H33NO5 MW 475.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO5/c1-4-5-16-34-29(32)26-19(2)30-22-12-9-13-23(31)28(22)27(26)21-14-15-24(25(17-21)33-3)35-18-20-10-7-6-8-11-20/h6-8,10-11,14-15,17,27,30H,4-5,9,12-13,16,18H2,1-3H3InChIKey
DOHVGABUNGXYEO-UHFFFAOYSA-NSynonyms
butyl4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
butyl4(4(benzyloxy)3methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
CCCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C(=O)CCC2)C
InChI=1SC29H33NO5c145163429(32)2619(2)30221291323(31)28(22)27(26)21141524(25(1721)333)351820107681120h6810111415172730H45912131618H213H3
MFCD00753008
ZINC000002896100
ZINC000002896101
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