Vitas-M small molecule compound
cyclohexyl 4-(4-ethylphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK007977
SMILES CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
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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 C31H35NO3 MW 469.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO3/c1-3-21-14-16-23(17-15-21)29-28(31(34)35-25-12-8-5-9-13-25)20(2)32-26-18-24(19-27(33)30(26)29)22-10-6-4-7-11-22/h4,6-7,10-11,14-17,24-25,29,32H,3,5,8-9,12-13,18-19H2,1-2H3InChIKey
XTMZXQQSYZEIJB-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC5CCCCC5)C
CCc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
cyclohexyl4(4ethylphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(4ethylphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO3c1321141623(171521)2928(31(34)3525128591325)20(2)32261824(1927(33)30(26)29)22106471122h4671011141724252932H358912131819H212H3
MFCD01081264
STK007977
ZINC000004417620
ZINC000004417626
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