Vitas-M small molecule compound
ethyl 2-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK756307
SMILES CCOC(=O)C1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc(c(c1)OC)OC)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 C28H31FN2O5 MW 494.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN2O5/c1-6-36-27(33)25-23(16-7-12-21(34-4)22(13-16)35-5)24-19(14-28(2,3)15-20(24)32)31(26(25)30)18-10-8-17(29)9-11-18/h7-13,23H,6,14-15,30H2,1-5H3InChIKey
VNNGDDKWPUGENV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CC(C2)(C)C)C4=CC=C(C=C4)F)N
ethyl2amino4(34dimethoxyphenyl)1(4fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO4(34DIMETHOXYPHENYL)1(4FLUOROPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC28H31FN2O5c163627(33)2523(1671221(344)22(1316)355)2419(1428(23)1520(24)32)31(26(25)30)1810817(29)91118h71323H6141530H215H3
MFCD01240354
ZINC000000714180
ZINC000000714181
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