Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686765
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1ccc(cc1)F)C(=O)CC2c1ccc2c(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 C29H24FNO6S MW 533.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24FNO6S/c1-2-35-29(34)27-20(24-4-3-11-38-24)13-21-26(28(27)33)19(16-5-10-22-23(12-16)37-15-36-22)14-25(32)31(21)18-8-6-17(30)7-9-18/h3-12,19-20,27H,2,13-15H2,1H3InChIKey
QGAAAXAWSQVQFT-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=C(C=C3)F)C4=CC5=C(C=C4)OCO5)C6=CC=CS6
ethyl4(13benzodioxol5yl)1(4fluorophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(13benzodioxol5yl)1(4fluorophenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H24FNO6Sc123529(34)2720(2443113824)132126(28(27)33)19(165102223(1216)37153622)1425(32)31(21)188617(30)7918h312192027H21315H21H3
MFCD06017437
ZINC000098008066
ZINC000103022035
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