Vitas-M small molecule compound
2-amino-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784506
SMILES N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C
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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 C21H19N5O3S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O3S/c1-21(2)8-14-19(15(27)9-21)18(16-5-6-17(30-16)26(28)29)13(10-22)20(23)25(14)12-4-3-7-24-11-12/h3-7,11,18H,8-9,23H2,1-2H3InChIKey
AXTYZLVJPGDKSS-UHFFFAOYSA-NSynonyms
2amino77dimethyl4(5nitrothiophen2yl)5oxo1(pyridin3yl)145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO1PYRIDIN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CN=CC=C3)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC21H19N5O3Sc121(2)81419(15(27)921)18(165617(3016)26(28)29)13(1022)20(23)25(14)12437241112h371118H8923H212H3
MFCD07022452
N#CC1=C(N)N(c2cccnc2)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000012402355
ZINC000012402356
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