Vitas-M small molecule compound

4-(2-{(E)-[1-(3-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

Catalog ID
STK140965
SMILES CCOc1cccc(c1)N1C(=O)NC(=O)/C(=C\c2cccn2c2ccc(cc2)C(=O)O)/C1=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 C24H19N3O6 MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O6/c1-2-33-19-7-3-5-18(13-19)27-22(29)20(21(28)25-24(27)32)14-17-6-4-12-26(17)16-10-8-15(9-11-16)23(30)31/h3-14H,2H2,1H3,(H,30,31)(H,25,28,32)/b20-14+
InChIKey
OBZFKRCINGLCKK-XSFVSMFZSA-N
Synonyms

4(2((E)(1(3ETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
4(2((E)(1(3ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
CCOC1=CC=CC(=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
CCOc1cccc(c1)N1C(=O)NC(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O
InChI=1SC24H19N3O6c12331973518(1319)2722(29)20(21(28)2524(27)32)1417641226(17)1610815(91116)23(30)31h314H2H21H3(H3031)(H252832)b2014+
MFCD04371692
ZINC000009601281
ZINC9601281

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Available files

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