Vitas-M small molecule compound
methyl 3-{3-[(1Z)-3-(benzylamino)-2-cyano-3-oxoprop-1-en-1-yl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK186505
SMILES N#C/C(=C/c1cc(n(c1C)c1cccc(c1)C(=O)OC)C)/C(=O)NCc1ccccc1
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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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c1-17-12-21(13-22(15-26)24(29)27-16-19-8-5-4-6-9-19)18(2)28(17)23-11-7-10-20(14-23)25(30)31-3/h4-14H,16H2,1-3H3,(H,27,29)/b22-13-InChIKey
XEQVAGNLIBAMOZ-XKZIYDEJSA-NSynonyms
(Z)methyl3(3(3(benzylamino)2cyano3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoate
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C=C(C#N)C(=O)NCC3=CC=CC=C3
InChI=1SC25H23N3O3c1171221(1322(1526)24(29)2716198546919)18(2)28(17)231171020(1423)25(30)313h414H16H213H3(H2729)b2213
METHYL3(3((1Z)3(BENZYLAMINO)2CYANO3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL3(3((Z)3(BENZYLAMINO)2CYANO3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD02052292
N#CC(=Cc1cc(n(c1C)c1cccc(c1)C(=O)OC)C)C(=O)NCc1ccccc1
ZINC000013810288
ZINC13810288
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