Vitas-M small molecule compound

2-amino-7,7-dimethyl-4-(3-methylthiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK755766
SMILES N#CC1=C(N)N(c2ccc(cc2)[N+](=O)[O-])C2=C(C1c1sccc1C)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 C23H22N4O3S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O3S/c1-13-8-9-31-21(13)19-16(12-24)22(25)26(14-4-6-15(7-5-14)27(29)30)17-10-23(2,3)11-18(28)20(17)19/h4-9,19H,10-11,25H2,1-3H3
InChIKey
FLJDKWSIFOWUGO-UHFFFAOYSA-N
Synonyms

2amino77dimethyl4(3methylthiophen2yl)1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(3METHYLTHIOPHEN2YL)1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(SC=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)(N+)(=O)(O))N)C#N
InChI=1SC23H22N4O3Sc113893121(13)1916(1224)22(25)26(144615(7514)27(29)30)171023(23)1118(28)20(17)19h4919H101125H213H3
MFCD01113617
N#CC1=C(N)N(c2ccc(cc2)(N+)(=O)(O))C2=C(C1c1sccc1C)C(=O)CC(C2)(C)C
ZINC000008442832
ZINC000008442833

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Available files

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