Vitas-M small molecule compound
cyclohexyl 4-(3-fluorophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406062
SMILES Fc1cccc(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccco1)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 C27H28FNO4 MW 449.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO4/c1-16-24(27(31)33-20-9-3-2-4-10-20)25(17-7-5-8-19(28)13-17)26-21(29-16)14-18(15-22(26)30)23-11-6-12-32-23/h5-8,11-13,18,20,25,29H,2-4,9-10,14-15H2,1H3InChIKey
QMXFSNDVGFEAOF-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CO3)C4=CC(=CC=C4)F)C(=O)OC5CCCCC5
cyclohexyl4(3fluorophenyl)7(furan2yl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclohexyl4(3fluorophenyl)7(furan2yl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC27H28FNO4c11624(27(31)332093241020)25(1775819(28)1317)2621(2916)1418(1522(26)30)23116123223h58111318202529H249101415H21H3
MFCD04216290
ZINC000001129667
ZINC000001129683
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