Vitas-M small molecule compound
methyl 4-{3-[(1E)-2-cyano-3-(morpholin-4-yl)-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK186074
SMILES N#C/C(=C\c1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)/C(=O)N1CCOCC1
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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 C22H23N3O4 MW 393.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4/c1-15-12-18(13-19(14-23)21(26)24-8-10-29-11-9-24)16(2)25(15)20-6-4-17(5-7-20)22(27)28-3/h4-7,12-13H,8-11H2,1-3H3/b19-13+InChIKey
SWHOLTDWINMDRR-CPNJWEJPSA-NSynonyms
(E)methyl4(3(2cyano3morpholino3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C=C(C#N)C(=O)N3CCOCC3
InChI=1SC22H23N3O4c1151218(1319(1423)21(26)248102911924)16(2)25(15)206417(5720)22(27)283h471213H811H213H3b1913+
METHYL4(3((1E)2CYANO3(MORPHOLIN4YL)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL4(3((1E)2CYANO3MORPHOLIN4YL3OXOPROP1ENYL)25DIMETHYLPYRROLYL)BENZOATE
METHYL4(3((E)2CYANO3MORPHOLIN4YL3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD02226390
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)C(=O)N1CCOCC1
ZINC000000871902
ZINC00871902
ZINC871902
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