Vitas-M small molecule compound
2-amino-1-(4-ethylphenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783478
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1)CC
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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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-4-14-5-7-15(8-6-14)27-17-11-24(2,3)12-18(29)22(17)21(16(13-25)23(27)26)19-9-10-20(32-19)28(30)31/h5-10,21H,4,11-12,26H2,1-3H3InChIKey
JIWWVHLLGJAMBE-UHFFFAOYSA-NSynonyms
2amino1(4ethylphenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4ETHYLPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CCC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC24H24N4O3Sc14145715(8614)27171124(23)1218(29)22(17)21(16(1325)23(27)26)1991020(3219)28(30)31h51021H4111226H213H3
MFCD06618301
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1)CC
ZINC000012413355
ZINC000012413357
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