Vitas-M small molecule compound
2-amino-1-(4-cyanophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784889
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)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 C23H19N5O3S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N5O3S/c1-23(2)9-16-21(17(29)10-23)20(18-7-8-19(32-18)28(30)31)15(12-25)22(26)27(16)14-5-3-13(11-24)4-6-14/h3-8,20H,9-10,26H2,1-2H3InChIKey
SPBRIKCCSKQFIR-UHFFFAOYSA-NSynonyms
2amino1(4cyanophenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CYANOPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)C#N)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC23H19N5O3Sc123(2)91621(17(29)1023)20(187819(3218)28(30)31)15(1225)22(26)27(16)145313(1124)4614h3820H91026H212H3
MFCD07657268
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1)C#N
ZINC000012402300
ZINC000012402301
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