Vitas-M small molecule compound
diethyl 2-amino-1,4-bis(2-fluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK684711
SMILES CCOC(=O)C1C(CC2=C(C1=O)C(c1ccccc1F)C(=C(N2c1ccccc1F)N)C(=O)OCC)c1cccs1
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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)25-18(23-14-9-15-41-23)16-22-26(28(25)36)24(17-10-5-6-11-19(17)32)27(31(38)40-4-2)29(34)35(22)21-13-8-7-12-20(21)33/h5-15,18,24-25H,3-4,16,34H2,1-2H3InChIKey
IYTLBCKHWHYGJS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OCC)C4=CC=CC=C4F)C5=CC=CS5
diethyl2amino14bis(2fluorophenyl)5oxo7(thiophen2yl)145678hexahydroquinoline36dicarboxylate
diethyl2amino14bis(2fluorophenyl)5oxo7thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC31H28F2N2O5Sc133930(37)2518(23149154123)162226(28(25)36)24(1710561119(17)32)27(31(38)4042)29(34)35(22)2113871220(21)33h515182425H341634H212H3
MFCD05855825
ZINC000100171887
ZINC000103014910
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