Vitas-M small molecule compound
2-amino-1-(4-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK674026
SMILES N#CC1=C(N)N(c2ccc(cc2)F)C2=C(C1c1ccc(c(c1)O)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 C25H24FN3O3 MW 433.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24FN3O3/c1-25(2)11-18-23(20(31)12-25)22(14-4-9-21(32-3)19(30)10-14)17(13-27)24(28)29(18)16-7-5-15(26)6-8-16/h4-10,22,30H,11-12,28H2,1-3H3InChIKey
WCYIDYMHTCWAMD-UHFFFAOYSA-NSynonyms
2amino1(4fluorophenyl)4(3hydroxy4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4FLUOROPHENYL)4(3HYDROXY4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC(=C(C=C4)OC)O)C(=O)C1)C
InChI=1SC25H24FN3O3c125(2)111823(20(31)1225)22(144921(323)19(30)1014)17(1327)24(28)29(18)167515(26)6816h4102230H111228H213H3
MFCD01240343
ZINC000000714140
ZINC000000714142
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