Vitas-M small molecule compound
2-amino-1-(2,6-difluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768760
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)O)C(=O)CC(C2)(C)C)c1c(F)cccc1F
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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 C25H23F2N3O3 MW 451.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23F2N3O3/c1-25(2)10-17-22(19(32)11-25)21(13-7-8-18(31)20(9-13)33-3)14(12-28)24(29)30(17)23-15(26)5-4-6-16(23)27/h4-9,21,31H,10-11,29H2,1-3H3InChIKey
DGAGNBWZMKUDHH-UHFFFAOYSA-NSynonyms
2amino1(26difluorophenyl)4(4hydroxy3methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(26DIFLUOROPHENYL)4(4HYDROXY3METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=CC(=C(C=C4)O)OC)C(=O)C1)C
InChI=1SC25H23F2N3O3c125(2)101722(19(32)1125)21(137818(31)20(913)333)14(1228)24(29)30(17)2315(26)54616(23)27h492131H101129H213H3
MFCD03307978
ZINC000000720228
ZINC000000720229
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