Vitas-M small molecule compound
propan-2-yl 4-(1,3-benzodioxol-5-yl)-7-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406136
SMILES Fc1ccc(cc1)C1CC2=C(C(=O)C1)C(C(=C(N2)C)C(=O)OC(C)C)c1ccc2c(c1)OCO2
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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 C27H26FNO5 MW 463.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FNO5/c1-14(2)34-27(31)24-15(3)29-20-10-18(16-4-7-19(28)8-5-16)11-21(30)26(20)25(24)17-6-9-22-23(12-17)33-13-32-22/h4-9,12,14,18,25,29H,10-11,13H2,1-3H3InChIKey
DEPDDYJSUMFXTB-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5)C(=O)OC(C)C
InChI=1SC27H26FNO5c114(2)3427(31)2415(3)29201018(164719(28)8516)1121(30)26(20)25(24)17692223(1217)33133222h491214182529H101113H213H3
MFCD05986619
propan2yl4(13benzodioxol5yl)7(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl4(13benzodioxol5yl)7(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
ZINC000020322638
ZINC000020322653
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