Vitas-M small molecule compound
(2E)-3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N-cycloheptylprop-2-enamide
Catalog ID
STK380687
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])Cl)C)/C(=O)NC1CCCCCC1
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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 C23H25ClN4O3 MW 440.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25ClN4O3/c1-15-11-17(12-18(14-25)23(29)26-19-7-5-3-4-6-8-19)16(2)27(15)20-9-10-21(24)22(13-20)28(30)31/h9-13,19H,3-8H2,1-2H3,(H,26,29)/b18-12+InChIKey
GDCUYHATQSHFIP-LDADJPATSA-NSynonyms
(2E)3(1(4chloro3nitrophenyl)25dimethyl1Hpyrrol3yl)2cyanoNcycloheptylprop2enamide
(E)3(1(4CHLORO3NITROPHENYL)25DIMETHYLPYRROL3YL)2CYANONCYCLOHEPTYLPROP2ENAMIDE
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C)C=C(C#N)C(=O)NC3CCCCCC3
InChI=1SC23H25ClN4O3c1151117(1218(1425)23(29)261975346819)16(2)27(15)2091021(24)22(1320)28(30)31h91319H38H212H3(H2629)b1812+
MFCD02314448
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)(N+)(=O)(O))Cl)C)C(=O)NC1CCCCCC1
ZINC000004087007
ZINC04087007
ZINC4087007
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