Vitas-M small molecule compound
2-amino-1-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783428
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1C)[N+](=O)[O-]
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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 C21H17N5O5S MW 451.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O5S/c1-11-9-12(25(28)29)5-6-14(11)24-15-3-2-4-16(27)20(15)19(13(10-22)21(24)23)17-7-8-18(32-17)26(30)31/h5-9,19H,2-4,23H2,1H3InChIKey
SZSGWQIZDMLYFZ-UHFFFAOYSA-NSynonyms
2amino1(2methyl4nitrophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(2methyl4nitrophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3
InChI=1SC21H17N5O5Sc111912(25(28)29)5614(11)241532416(27)20(15)19(13(1022)21(24)23)177818(3217)26(30)31h5919H2423H21H3
MFCD06618203
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1C)(N+)(=O)(O)
ZINC000012445880
ZINC000012445882
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