Vitas-M small molecule compound

2-amino-4-(4-ethylphenyl)-7,7-dimethyl-1-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK755467
SMILES CCc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)C)C#N

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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 C27H29N3O MW 411.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O/c1-5-18-9-11-19(12-10-18)24-21(16-28)26(29)30(20-8-6-7-17(2)13-20)22-14-27(3,4)15-23(31)25(22)24/h6-13,24H,5,14-15,29H2,1-4H3
InChIKey
FRYANFSEQFAWJR-UHFFFAOYSA-N
Synonyms

2amino4(4ethylphenyl)77dimethyl1(3methylphenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4ETHYLPHENYL)77DIMETHYL1(3METHYLPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CCC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC(=C4)C)N)C#N
InChI=1SC27H29N3Oc151891119(121018)2421(1628)26(29)30(2086717(2)1320)221427(34)1523(31)25(22)24h61324H5141529H214H3
MFCD00828139
ZINC000000713491
ZINC000000713492

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Available files

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