Vitas-M small molecule compound
2-amino-1-(2,4-difluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783501
SMILES N#CC1=C(N)N(C2=C(C1c1ccc(s1)[N+](=O)[O-])C(=O)CC(C2)(C)C)c1ccc(cc1F)F
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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 C22H18F2N4O3S MW 456.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N4O3S/c1-22(2)8-15-20(16(29)9-22)19(17-5-6-18(32-17)28(30)31)12(10-25)21(26)27(15)14-4-3-11(23)7-13(14)24/h3-7,19H,8-9,26H2,1-2H3InChIKey
KPIDHXJQPFECQE-UHFFFAOYSA-NSynonyms
2amino1(24difluorophenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(24DIFLUOROPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC22H18F2N4O3Sc122(2)81520(16(29)922)19(175618(3217)28(30)31)12(1025)21(26)27(15)144311(23)713(14)24h3719H8926H212H3
MFCD06618326
N#CC1=C(N)N(C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C)c1ccc(cc1F)F
ZINC000012402319
ZINC000012402320
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