Vitas-M small molecule compound
methyl 3-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylbenzoate
Catalog ID
STK182538
SMILES N#C/C(=C/c1cc(n(c1C)c1cccc(c1C)C(=O)OC)C)/C(=O)Nc1ccccc1C
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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 C26H25N3O3 MW 427.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O3/c1-16-9-6-7-11-23(16)28-25(30)21(15-27)14-20-13-17(2)29(19(20)4)24-12-8-10-22(18(24)3)26(31)32-5/h6-14H,1-5H3,(H,28,30)/b21-14-InChIKey
NWPXMNQHBBLGBN-STZFKDTASA-NSynonyms
(Z)methyl3(3(2cyano3oxo3(otolylamino)prop1en1yl)25dimethyl1Hpyrrol1yl)2methylbenzoate
CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC(=C3C)C(=O)OC)C)C#N
InChI=1SC26H25N3O3c1169671123(16)2825(30)21(1527)14201317(2)29(19(20)4)241281022(18(24)3)26(31)325h614H15H3(H2830)b2114
METHYL3(3((1Z)2CYANO3((2METHYLPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)2METHYLBENZOATE
METHYL3(3((Z)2CYANO3(2METHYLANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)2METHYLBENZOATE
MFCD02378927
N#CC(=Cc1cc(n(c1C)c1cccc(c1C)C(=O)OC)C)C(=O)Nc1ccccc1C
ZINC000009355070
ZINC09355070
ZINC9355070
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.