Vitas-M small molecule compound
2-amino-1-(3-chloro-4-fluorophenyl)-7,7-dimethyl-4-(5-nitrothiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK783479
SMILES N#CC1=C(N)N(c2ccc(c(c2)Cl)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 C22H18ClFN4O3S MW 472.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN4O3S/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)11-3-4-14(24)13(23)7-11/h3-7,19H,8-9,26H2,1-2H3InChIKey
PXLJEHRMTNHMFR-UHFFFAOYSA-NSynonyms
2amino1(3chloro4fluorophenyl)77dimethyl4(5nitrothiophen2yl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(3CHLORO4FLUOROPHENYL)77DIMETHYL4(5NITROTHIOPHEN2YL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=C(C=C3)F)Cl)N)C#N)C4=CC=C(S4)(N+)(=O)(O))C(=O)C1)C
InChI=1SC22H18ClFN4O3Sc122(2)81520(16(29)922)19(175618(3217)28(30)31)12(1025)21(26)27(15)113414(24)13(23)711h3719H8926H212H3
MFCD06618302
N#CC1=C(N)N(c2ccc(c(c2)Cl)F)C2=C(C1c1ccc(s1)(N+)(=O)(O))C(=O)CC(C2)(C)C
ZINC000012402296
ZINC000012402297
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