Vitas-M small molecule compound
(2E)-3-{1-[3-bromo-4-(morpholin-4-yl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-cyclohexylprop-2-enamide
Catalog ID
STK100899
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)Br)N1CCOCC1)C)/C(=O)NC1CCCCC1
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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 C26H31BrN4O2 MW 511.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31BrN4O2/c1-18-14-20(15-21(17-28)26(32)29-22-6-4-3-5-7-22)19(2)31(18)23-8-9-25(24(27)16-23)30-10-12-33-13-11-30/h8-9,14-16,22H,3-7,10-13H2,1-2H3,(H,29,32)/b21-15+InChIKey
DMSACDAPMQEELN-RCCKNPSSSA-NSynonyms
(2E)3(1(3BROMO4(MORPHOLIN4YL)PHENYL)25DIMETHYL1HPYRROL3YL)2CYANONCYCLOHEXYLPROP2ENAMIDE
(E)3(1(3BROMO4MORPHOLIN4YLPHENYL)25DIMETHYLPYRROL3YL)2CYANONCYCLOHEXYLPROP2ENAMIDE
CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)Br)C)C=C(C#N)C(=O)NC4CCCCC4
InChI=1SC26H31BrN4O2c1181420(1521(1728)26(32)29226435722)19(2)31(18)238925(24(27)1623)30101233131130h89141622H371013H212H3(H2932)b2115+
MFCD02197020
N#CC(=Cc1cc(n(c1C)c1ccc(c(c1)Br)N1CCOCC1)C)C(=O)NC1CCCCC1
ZINC000009836737
ZINC09836737
ZINC9836737
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