Vitas-M small molecule compound
methyl 2-(3-{(1E)-2-cyano-3-[(4-hydroxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK183805
SMILES N#C/C(=C\c1cc(n(c1C)c1ccccc1C(=O)OC)C)/C(=O)Nc1ccc(cc1)O
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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 C24H21N3O4 MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O4/c1-15-12-17(13-18(14-25)23(29)26-19-8-10-20(28)11-9-19)16(2)27(15)22-7-5-4-6-21(22)24(30)31-3/h4-13,28H,1-3H3,(H,26,29)/b18-13+InChIKey
OSHQAPILVJJTAH-QGOAFFKASA-NSynonyms
CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)C=C(C#N)C(=O)NC3=CC=C(C=C3)O
InChI=1SC24H21N3O4c1151217(1318(1425)23(29)261981020(28)11919)16(2)27(15)22754621(22)24(30)313h41328H13H3(H2629)b1813+
METHYL2(3((1E)2CYANO3((4HYDROXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOATE
METHYL2(3((E)2CYANO3(4HYDROXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOATE
MFCD06150774
N#CC(=Cc1cc(n(c1C)c1ccccc1C(=O)OC)C)C(=O)Nc1ccc(cc1)O
ZINC000001107713
ZINC01107713
ZINC1107713
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