Vitas-M small molecule compound
methyl 4-(3-{(1Z)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK182528
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc(cc1)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 C25H23N3O3 MW 413.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3/c1-16-7-5-6-8-23(16)27-24(29)21(15-26)14-20-13-17(2)28(18(20)3)22-11-9-19(10-12-22)25(30)31-4/h5-14H,1-4H3,(H,27,29)/b21-14-InChIKey
LVIKIINHAVZCKN-STZFKDTASA-NSynonyms
CC1=CC=CC=C1NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C)C#N
InChI=1SC25H23N3O3c116756823(16)2724(29)21(1526)14201317(2)28(18(20)3)2211919(101222)25(30)314h514H14H3(H2729)b2114
METHYL4(3((1Z)2CYANO3((2METHYLPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL4(3((Z)2CYANO3(2METHYLANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD01829647
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)C(=O)Nc1ccccc1C
ZINC000015012325
ZINC15012325
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