Vitas-M small molecule compound
2-amino-1-(4-methylphenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783907
SMILES N#CC1=C(N)N(c2ccc(cc2)C)C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2
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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 C21H18N4O3S MW 406.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O3S/c1-12-5-7-13(8-6-12)24-15-3-2-4-16(26)20(15)19(14(11-22)21(24)23)17-9-10-18(29-17)25(27)28/h5-10,19H,2-4,23H2,1H3InChIKey
DVMXMGPKRQGTGN-UHFFFAOYSA-NSynonyms
2amino1(4methylphenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4methylphenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3
InChI=1SC21H18N4O3Sc1125713(8612)241532416(26)20(15)19(14(1122)21(24)23)1791018(2917)25(27)28h51019H2423H21H3
MFCD06619178
N#CC1=C(N)N(c2ccc(cc2)C)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2
ZINC000004708632
ZINC000004708633
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