Vitas-M small molecule compound
2-amino-7,7-dimethyl-1-(4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784947
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1)[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 C22H19N5O5S MW 465.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O5S/c1-22(2)9-15-20(16(28)10-22)19(17-7-8-18(33-17)27(31)32)14(11-23)21(24)25(15)12-3-5-13(6-4-12)26(29)30/h3-8,19H,9-10,24H2,1-2H3InChIKey
RAIBXQCHJBVWAO-UHFFFAOYSA-NSynonyms
2amino77dimethyl1(4nitrophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(4NITROPHENYL)4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC22H19N5O5Sc122(2)91520(16(28)1022)19(177818(3317)27(31)32)14(1123)21(24)25(15)123513(6412)26(29)30h3819H91024H212H3
MFCD07657379
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000012402315
ZINC000012402316
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