Vitas-M small molecule compound
2-amino-7,7-dimethyl-1-(2-methyl-4-nitrophenyl)-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783922
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1C)[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 C23H21N5O5S MW 479.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N5O5S/c1-12-8-13(27(30)31)4-5-15(12)26-16-9-23(2,3)10-17(29)21(16)20(14(11-24)22(26)25)18-6-7-19(34-18)28(32)33/h4-8,20H,9-10,25H2,1-3H3InChIKey
BCDPXTGYUGXLSA-UHFFFAOYSA-NSynonyms
2amino77dimethyl1(2methyl4nitrophenyl)4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO77DIMETHYL1(2METHYL4NITROPHENYL)4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C3=C(C(C(=C2N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)CC(C3)(C)C
InChI=1SC23H21N5O5Sc112813(27(30)31)4515(12)2616923(23)1017(29)21(16)20(14(1124)22(26)25)186719(3418)28(32)33h4820H91025H213H3
MFCD06619197
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1C)(N+)(=O)(O)
ZINC000012445872
ZINC000012445874
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