Vitas-M small molecule compound
2-amino-4-(2,5-dimethyl-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}phenyl)-1-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL435826
SMILES N#CC1=C(N)N(c2ccc(cc2)F)C2=C(C1c1cc(C)cc(c1C)Cn1ccc(n1)C(F)(F)F)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 C31H29F4N5O MW 563.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29F4N5O/c1-17-11-19(16-39-10-9-26(38-39)31(33,34)35)18(2)22(12-17)27-23(15-36)29(37)40(21-7-5-20(32)6-8-21)24-13-30(3,4)14-25(41)28(24)27/h5-12,27H,13-14,16,37H2,1-4H3InChIKey
OZPRFYNVQNQCBH-UHFFFAOYSA-NSynonyms
2amino4(25dimethyl3((3(trifluoromethyl)1Hpyrazol1yl)methyl)phenyl)1(4fluorophenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2amino4(25dimethyl3((3(trifluoromethyl)pyrazol1yl)methyl)phenyl)1(4fluorophenyl)77dimethyl5oxo68dihydro4Hquinoline3carbonitrile
CC1=CC(=C(C(=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)F)N)C#N)C)CN5C=CC(=N5)C(F)(F)F
InChI=1SC31H29F4N5Oc1171119(163910926(3839)31(3334)35)18(2)22(1217)2723(1536)29(37)40(217520(32)6821)241330(34)1425(41)28(24)27h51227H13141637H214H3
MFCD06147592
ZINC000100250955
ZINC000100250958
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