Vitas-M small molecule compound
methyl 4-(3-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK186346
SMILES N#C/C(=C/c1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)/C(=O)Nc1cccc(c1)C
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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/c1-16-6-5-7-22(12-16)27-24(29)21(15-26)14-20-13-17(2)28(18(20)3)23-10-8-19(9-11-23)25(30)31-4/h5-14H,1-4H3,(H,27,29)/b21-14-InChIKey
WPSZIGWJDTWYRE-STZFKDTASA-NSynonyms
CC1=CC(=CC=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)OC)C)C#N
InChI=1SC25H23N3O3c11665722(1216)2724(29)21(1526)14201317(2)28(18(20)3)2310819(91123)25(30)314h514H14H3(H2729)b2114
METHYL4(3((1Z)2CYANO3((3METHYLPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL4(3((Z)2CYANO3(3METHYLANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD01829748
N#CC(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)OC)C)C(=O)Nc1cccc(c1)C
ZINC000015012335
ZINC15012335
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