Vitas-M small molecule compound
2-amino-1-(2,6-difluorophenyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK768756
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)OC)OC)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 C26H25F2N3O3 MW 465.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25F2N3O3/c1-26(2)11-18-23(19(32)12-26)22(14-8-9-20(33-3)21(10-14)34-4)15(13-29)25(30)31(18)24-16(27)6-5-7-17(24)28/h5-10,22H,11-12,30H2,1-4H3InChIKey
DFXZEYQWBNXGBQ-UHFFFAOYSA-NSynonyms
2amino1(26difluorophenyl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(26DIFLUOROPHENYL)4(34DIMETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=CC=C3F)F)N)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC26H25F2N3O3c126(2)111823(19(32)1226)22(148920(333)21(1014)344)15(1329)25(30)31(18)2416(27)65717(24)28h51022H111230H214H3
MFCD03308217
ZINC000000720220
ZINC000000720221
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