Vitas-M small molecule compound

benzyl 4-(2-iodophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK072189
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1I)C(=O)CCC2)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)29-14-16-8-3-2-4-9-16)22(17-10-5-6-11-18(17)25)23-19(26-15)12-7-13-20(23)27/h2-6,8-11,22,26H,7,12-14H2,1H3
InChIKey
GHBPDCCDZKATCA-UHFFFAOYSA-N
Synonyms

benzyl4(2iodophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2iodophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3I)C(=O)OCC4=CC=CC=C4
InChI=1SC24H22INO3c11521(24(28)2914168324916)22(1710561118(17)25)2319(2615)1271320(23)27h268112226H71214H21H3
MFCD00771210
O=C(C1=C(C)NC2=C(C1c1ccccc1I)C(=O)CCC2)OCc1ccccc1
STK072189
ZINC000019881136
ZINC000019881140

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Available files

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