Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363210
SMILES C=CCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(=O)OC)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 C22H23NO5 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5/c1-4-12-28-22(26)18-13(2)23-16-6-5-7-17(24)20(16)19(18)14-8-10-15(11-9-14)21(25)27-3/h4,8-11,19,23H,1,5-7,12H2,2-3H3InChIKey
CSVPMFMRQXNUMN-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(=O)OC)C(=O)OCC=C
InChI=1SC22H23NO5c14122822(26)1813(2)231665717(24)20(16)19(18)1481015(11914)21(25)273h48111923H15712H223H3
MFCD00717897
prop2en1yl4(4(methoxycarbonyl)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
prop2enyl4(4methoxycarbonylphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000002800963
ZINC000002800964
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