Vitas-M small molecule compound
2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,7-dimethyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174370
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)CN1CCCC1)OC)C(=O)CC(C2)(C)C)c1ccccc1C(F)(F)F
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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 C31H33F3N4O2 MW 550.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33F3N4O2/c1-30(2)15-24-28(25(39)16-30)27(19-10-11-26(40-3)20(14-19)18-37-12-6-7-13-37)21(17-35)29(36)38(24)23-9-5-4-8-22(23)31(32,33)34/h4-5,8-11,14,27H,6-7,12-13,15-16,18,36H2,1-3H3InChIKey
DEWZPRPDPGPGMQ-UHFFFAOYSA-NSynonyms
444934-51-42amino4(4methoxy3(pyrrolidin1ylmethyl)phenyl)77dimethyl5oxo1(2(trifluoromethyl)phenyl)145678hexahydroquinoline3carbonitrile
2AMINO4(4METHOXY3(PYRROLIDIN1YLMETHYL)PHENYL)77DIMETHYL5OXO1(2(TRIFLUOROMETHYL)PHENYL)68DIHYDRO4HQUINOLINE3CARBONITRILE
444934514
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3C(F)(F)F)N)C#N)C4=CC(=C(C=C4)OC)CN5CCCC5)C(=O)C1)C
InChI=1SC31H33F3N4O2c130(2)152428(25(39)1630)27(19101126(403)20(1419)183712671337)21(1735)29(36)38(24)23954822(23)31(3233)34h458111427H67121315161836H213H3
MFCD02607025
ZINC000000673592
ZINC000004396961
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