Vitas-M small molecule compound
butan-2-yl 4-(4-ethoxyphenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK377097
SMILES CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC(CC)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 C29H33NO4 MW 459.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33NO4/c1-5-18(3)34-29(32)26-19(4)30-24-16-22(20-10-8-7-9-11-20)17-25(31)28(24)27(26)21-12-14-23(15-13-21)33-6-2/h7-15,18,22,27,30H,5-6,16-17H2,1-4H3InChIKey
MXVLQFLCMMMBMC-UHFFFAOYSA-NSynonyms
butan2yl4(4ethoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
butan2yl4(4ethoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC)C(=O)CC(C2)C4=CC=CC=C4)C
InChI=1SC29H33NO4c1518(3)3429(32)2619(4)30241622(20108791120)1725(31)28(24)27(26)21121423(151321)3362h71518222730H561617H214H3
MFCD01445760
ZINC000002927422
ZINC000035973762
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