Vitas-M small molecule compound
2-phenoxyethyl 4-(2-butoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402319
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCCOc1ccccc1
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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/c1-3-4-17-34-25-16-9-8-13-22(25)27-26(20(2)30-23-14-10-15-24(31)28(23)27)29(32)35-19-18-33-21-11-6-5-7-12-21/h5-9,11-13,16,27,30H,3-4,10,14-15,17-19H2,1-2H3InChIKey
BVDWFQWBUUJGIF-UHFFFAOYSA-NSynonyms
2phenoxyethyl4(2butoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl4(2butoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCCOC4=CC=CC=C4)C
InChI=1SC29H33NO5c13417342516981322(25)2726(20(2)302314101524(31)28(23)27)29(32)3519183321116571221h591113162730H341014151719H212H3
MFCD01191843
ZINC000005296564
ZINC000005296568
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