Vitas-M small molecule compound

4-(3-{(1Z)-2-cyano-3-[(4-ethoxyphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK182370
SMILES CCOc1ccc(cc1)NC(=O)/C(=C\c1cc(n(c1C)c1ccc(cc1)C(=O)O)C)/C#N

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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 C25H23N3O4 MW 429.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O4/c1-4-32-23-11-7-21(8-12-23)27-24(29)20(15-26)14-19-13-16(2)28(17(19)3)22-9-5-18(6-10-22)25(30)31/h5-14H,4H2,1-3H3,(H,27,29)(H,30,31)/b20-14-
InChIKey
UPDXXLDIHPORPO-ZHZULCJRSA-N
Synonyms

(Z)4(3(2cyano3((4ethoxyphenyl)amino)3oxoprop1en1yl)25dimethyl1Hpyrrol1yl)benzoicacid
4(3((1Z)2CYANO3((4ETHOXYPHENYL)AMINO)3OXOPROP1EN1YL)25DIMETHYL1HPYRROL1YL)BENZOICACID
4(3((Z)2CYANO3(4ETHOXYANILINO)3OXOPROP1ENYL)25DIMETHYLPYRROL1YL)BENZOICACID
CCOC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C(=O)O)C)C#N
CCOc1ccc(cc1)NC(=O)C(=Cc1cc(n(c1C)c1ccc(cc1)C(=O)O)C)C#N
InChI=1SC25H23N3O4c14322311721(81223)2724(29)20(1526)14191316(2)28(17(19)3)229518(61022)25(30)31h514H4H213H3(H2729)(H3031)b2014
MFCD01824198
ZINC000008842868
ZINC8842868

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Available files

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