Vitas-M small molecule compound
dimethyl 2-amino-1-(3-fluorophenyl)-5-oxo-7-phenyl-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK683628
SMILES COC(=O)C1C(CC2=C(C1=O)C(c1cccs1)C(=C(N2c1cccc(c1)F)N)C(=O)OC)c1ccccc1
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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 C29H25FN2O5S MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25FN2O5S/c1-36-28(34)22-19(16-8-4-3-5-9-16)15-20-23(26(22)33)24(21-12-7-13-38-21)25(29(35)37-2)27(31)32(20)18-11-6-10-17(30)14-18/h3-14,19,22,24H,15,31H2,1-2H3InChIKey
ZHIKKBHJHWLPKW-UHFFFAOYSA-NSynonyms
COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OC)C4=CC=CS4)C5=CC=CC=C5
dimethyl2amino1(3fluorophenyl)5oxo7phenyl4(thiophen2yl)145678hexahydroquinoline36dicarboxylate
dimethyl2amino1(3fluorophenyl)5oxo7phenyl4thiophen2yl4678tetrahydroquinoline36dicarboxylate
InChI=1SC29H25FN2O5Sc13628(34)2219(168435916)152023(26(22)33)24(21127133821)25(29(35)372)27(31)32(20)181161017(30)1418h314192224H1531H212H3
MFCD05258418
ZINC000001422879
ZINC000103011313
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