Vitas-M small molecule compound
2-amino-1-(4-methoxy-2-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784505
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1[N+](=O)[O-])OC
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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 C21H17N5O6S MW 467.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N5O6S/c1-32-11-5-6-13(15(9-11)25(28)29)24-14-3-2-4-16(27)20(14)19(12(10-22)21(24)23)17-7-8-18(33-17)26(30)31/h5-9,19H,2-4,23H2,1H3InChIKey
LPTBIGHKTYETPD-UHFFFAOYSA-NSynonyms
2amino1(4methoxy2nitrophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4methoxy2nitrophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC(=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CCC3)(N+)(=O)(O)
InChI=1SC21H17N5O6Sc132115613(15(911)25(28)29)241432416(27)20(14)19(12(1022)21(24)23)177818(3317)26(30)31h5919H2423H21H3
MFCD07022451
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1(N+)(=O)(O))OC
ZINC000012420089
ZINC000012420092
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