Vitas-M small molecule compound
ethyl 2-amino-1-(4-chlorophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756259
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc(cc1)F)C(=O)CC(C2)(C)C
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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 C26H26ClFN2O3 MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClFN2O3/c1-4-33-25(32)23-21(15-5-9-17(28)10-6-15)22-19(13-26(2,3)14-20(22)31)30(24(23)29)18-11-7-16(27)8-12-18/h5-12,21H,4,13-14,29H2,1-3H3InChIKey
PQSBTEMQENOFCA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)F)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)Cl)N
ethyl2amino1(4chlorophenyl)4(4fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO1(4CHLOROPHENYL)4(4FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC26H26ClFN2O3c143325(32)2321(155917(28)10615)2219(1326(23)1420(22)31)30(24(23)29)1811716(27)81218h51221H4131429H213H3
MFCD01233701
ZINC000002573654
ZINC000003663889
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