Vitas-M small molecule compound

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

Catalog ID
STK784360
SMILES N#CC1=C(N)N(c2cccc(c2)C)C2=C(C1c1ccc(s1)[N+](=O)[O-])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/c1-13-5-4-6-14(9-13)26-16-10-23(2,3)11-17(28)21(16)20(15(12-24)22(26)25)18-7-8-19(31-18)27(29)30/h4-9,20H,10-11,25H2,1-3H3
InChIKey
TXLHBDATXOSQBN-UHFFFAOYSA-N
Synonyms

2amino77dimethyl1(3methylphenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(3METHYLPHENYL)4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC23H22N4O3Sc11354614(913)26161023(23)1117(28)21(16)20(15(1224)22(26)25)187819(3118)27(29)30h4920H101125H213H3
MFCD07021932
N#CC1=C(N)N(c2cccc(c2)C)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000012462795
ZINC000012462796

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Available files

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