Vitas-M small molecule compound
diethyl 2-amino-1-(3-fluorophenyl)-4-(4-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684975
SMILES CCOC(=O)C1C(=O)C2=C(CC1c1cccs1)N(c1cccc(c1)F)C(=C(C2c1ccc(cc1)F)C(=O)OCC)N
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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 C31H28F2N2O5S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28F2N2O5S/c1-3-39-30(37)25-21(23-9-6-14-41-23)16-22-26(28(25)36)24(17-10-12-18(32)13-11-17)27(31(38)40-4-2)29(34)35(22)20-8-5-7-19(33)15-20/h5-15,21,24-25H,3-4,16,34H2,1-2H3InChIKey
FNTWPCWWNMIDFF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OCC)C4=CC=C(C=C4)F)C5=CC=CS5
diethyl2amino1(3fluorophenyl)4(4fluorophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino1(3fluorophenyl)4(4fluorophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28F2N2O5Sc133930(37)2521(2396144123)162226(28(25)36)24(17101218(32)131117)27(31(38)4042)29(34)35(22)2085719(33)1520h515212425H341634H212H3
MFCD05856774
ZINC000100173971
ZINC000103015827
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