Vitas-M small molecule compound
benzyl 4-(3-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK364296
SMILES Ic1cccc(c1)C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OCc1ccccc1
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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 C24H22INO3 MW 499.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22INO3/c1-15-21(24(28)29-14-16-7-3-2-4-8-16)22(17-9-5-10-18(25)13-17)23-19(26-15)11-6-12-20(23)27/h2-5,7-10,13,22,26H,6,11-12,14H2,1H3InChIKey
DQIHWFSGWCMSQI-UHFFFAOYSA-NSynonyms
benzyl4(3iodophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(3iodophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4
InChI=1SC24H22INO3c11521(24(28)2914167324816)22(17951018(25)1317)2319(2615)1161220(23)27h25710132226H6111214H21H3
MFCD00771211
ZINC000003098477
ZINC000003098478
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