Vitas-M small molecule compound
ethyl 4-(1,3-benzodioxol-5-yl)-1-(2-fluorophenyl)-2,5-dioxo-7-(thiophen-2-yl)-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Catalog ID
STK686828
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(C(=O)CC2c1ccc2c(c1)OCO2)c1ccccc1F
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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)27-18(24-8-5-11-38-24)13-21-26(28(27)33)17(16-9-10-22-23(12-16)37-15-36-22)14-25(32)31(21)20-7-4-3-6-19(20)30/h3-12,17-18,27H,2,13-15H2,1H3InChIKey
SOAQWZBOIJOQIB-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(CC(=O)N2C3=CC=CC=C3F)C4=CC5=C(C=C4)OCO5)C6=CC=CS6
ethyl4(13benzodioxol5yl)1(2fluorophenyl)25dioxo7(thiophen2yl)12345678octahydroquinoline6carboxylate
ethyl4(13benzodioxol5yl)1(2fluorophenyl)25dioxo7thiophen2yl4678tetrahydro3Hquinoline6carboxylate
InChI=1SC29H24FNO6Sc123529(34)2718(2485113824)132126(28(27)33)17(169102223(1216)37153622)1425(32)31(21)20743619(20)30h312171827H21315H21H3
MFCD06017826
ZINC000098008100
ZINC000103022479
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