Vitas-M small molecule compound
2-amino-1-(3-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK784944
SMILES N#CC1=C(N)N(c2cccc(c2)F)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 C22H19FN4O3S MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19FN4O3S/c1-22(2)9-15-20(16(28)10-22)19(17-6-7-18(31-17)27(29)30)14(11-24)21(25)26(15)13-5-3-4-12(23)8-13/h3-8,19H,9-10,25H2,1-2H3InChIKey
MSQHNCJTJXFONB-UHFFFAOYSA-NSynonyms
2amino1(3fluorophenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(3FLUOROPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)F)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC22H19FN4O3Sc122(2)91520(16(28)1022)19(176718(3117)27(29)30)14(1124)21(25)26(15)1353412(23)813h3819H91025H212H3
MFCD07657375
N#CC1=C(N)N(c2cccc(c2)F)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000012402339
ZINC000012402340
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