Vitas-M small molecule compound

2-amino-1-(2-chlorophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STL174871
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(c(c1)COc1ccc(cc1)F)OC)C(=O)CC(C2)(C)C)c1ccccc1Cl

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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 C32H29ClFN3O3 MW 558.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29ClFN3O3/c1-32(2)15-26-30(27(38)16-32)29(23(17-35)31(36)37(26)25-7-5-4-6-24(25)33)19-8-13-28(39-3)20(14-19)18-40-22-11-9-21(34)10-12-22/h4-14,29H,15-16,18,36H2,1-3H3
InChIKey
JXLXVKCRGYRZMP-UHFFFAOYSA-N
Synonyms

2amino1(2chlorophenyl)4(3((4fluorophenoxy)methyl)4methoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(2CHLOROPHENYL)4(3((4FLUOROPHENOXY)METHYL)4METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3Cl)N)C#N)C4=CC(=C(C=C4)OC)COC5=CC=C(C=C5)F)C(=O)C1)C
InChI=1SC32H29ClFN3O3c132(2)152630(27(38)1632)29(23(1735)31(36)37(26)25754624(25)33)1981328(393)20(1419)18402211921(34)101222h41429H15161836H213H3
MFCD03070974
ZINC000002089737
ZINC000002089738

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Available files

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