Vitas-M small molecule compound
methyl 2-amino-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757811
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccccc1)C(=O)CC(C2)(C)C)c1ccc(cc1)F
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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 C25H25FN2O3 MW 420.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN2O3/c1-25(2)13-18-21(19(29)14-25)20(15-7-5-4-6-8-15)22(24(30)31-3)23(27)28(18)17-11-9-16(26)10-12-17/h4-12,20H,13-14,27H2,1-3H3InChIKey
PWOJAVYKEGYTRP-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C(=O)OC)C4=CC=CC=C4)C(=O)C1)C
InChI=1SC25H25FN2O3c125(2)131821(19(29)1425)20(157546815)22(24(30)313)23(27)28(18)1711916(26)101217h41220H131427H213H3
methyl2amino1(4fluorophenyl)77dimethyl5oxo4phenyl145678hexahydroquinoline3carboxylate
METHYL2AMINO1(4FLUOROPHENYL)77DIMETHYL5OXO4PHENYL68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01305068
ZINC000001059982
ZINC000001059984
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