Vitas-M small molecule compound
2-amino-1-(4-cyanophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK785879
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CCC2)c1ccc(cc1)C#N
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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 C21H15N5O3S MW 417.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N5O3S/c22-10-12-4-6-13(7-5-12)25-15-2-1-3-16(27)20(15)19(14(11-23)21(25)24)17-8-9-18(30-17)26(28)29/h4-9,19H,1-3,24H2InChIKey
NMAHTVLVEGHDTM-UHFFFAOYSA-NSynonyms
2amino1(4cyanophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(4cyanophenyl)4(5nitrothiophen2yl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)C#N)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1
InChI=1SC21H15N5O3Sc2210124613(7512)251521316(27)20(15)19(14(1123)21(25)24)178918(3017)26(28)29h4919H1324H2
MFCD07800849
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CCC2)c1ccc(cc1)C#N
ZINC000012428977
ZINC000012428978
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