Vitas-M small molecule compound
methyl 2-amino-1-(2-fluorophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK757318
SMILES COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccccc1F
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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 C25H24FN3O5 MW 465.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O5/c1-25(2)12-18-21(19(30)13-25)20(14-8-10-15(11-9-14)29(32)33)22(24(31)34-3)23(27)28(18)17-7-5-4-6-16(17)26/h4-11,20H,12-13,27H2,1-3H3InChIKey
KODIRXGQFDBGPM-UHFFFAOYSA-NSynonyms
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3F)N)C(=O)OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)C1)C
COC(=O)C1=C(N)N(C2=C(C1c1ccc(cc1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccccc1F
InChI=1SC25H24FN3O5c125(2)121821(19(30)1325)20(1481015(11914)29(32)33)22(24(31)343)23(27)28(18)17754616(17)26h41120H121327H213H3
methyl2amino1(2fluorophenyl)77dimethyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
METHYL2AMINO1(2FLUOROPHENYL)77DIMETHYL4(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
MFCD01240618
ZINC000000714648
ZINC000000714649
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