Vitas-M small molecule compound

2-amino-4-{4-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-7,7-dimethyl-5-oxo-1-(phenylamino)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STL416509
SMILES N#CC1=C(N)N(Nc2ccccc2)C2=C(C1c1ccc(c(c1)OC)OCc1cccc(c1)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 C32H31FN4O3 MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31FN4O3/c1-32(2)16-25-30(26(38)17-32)29(24(18-34)31(35)37(25)36-23-10-5-4-6-11-23)21-12-13-27(28(15-21)39-3)40-19-20-8-7-9-22(33)14-20/h4-15,29,36H,16-17,19,35H2,1-3H3
InChIKey
BSUGTSVJGVHNFR-UHFFFAOYSA-N
Synonyms

2AMINO1ANILINO4(4((3FLUOROPHENYL)METHOXY)3METHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
2amino4(4((3fluorobenzyl)oxy)3methoxyphenyl)77dimethyl5oxo1(phenylamino)145678hexahydroquinoline3carbonitrile
CC1(CC2=C(C(C(=C(N2NC3=CC=CC=C3)N)C#N)C4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)OC)C(=O)C1)C
InChI=1SC32H31FN4O3c132(2)162530(26(38)1732)29(24(1834)31(35)37(25)3623105461123)21121327(28(1521)393)40192087922(33)1420h4152936H16171935H213H3
MFCD04091285
ZINC000002170037
ZINC000002170039

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Available files

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