Vitas-M small molecule compound
3-(3-{(E)-[1-(2-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK199981
SMILES CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)C(=O)O)C)/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 C26H23N3O6 MW 473.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O6/c1-4-35-22-11-6-5-10-21(22)29-24(31)20(23(30)27-26(29)34)14-18-12-15(2)28(16(18)3)19-9-7-8-17(13-19)25(32)33/h5-14H,4H2,1-3H3,(H,32,33)(H,27,30,34)/b20-14+InChIKey
RDEVZFDSJVMGGB-XSFVSMFZSA-NSynonyms
3(3((E)(1(2ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)benzoicacid
3(3((E)(1(2ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
CCOC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)O)C)C(=O)NC2=O
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C(=O)O)C)C1=O
InChI=1SC26H23N3O6c14352211651021(22)2924(31)20(23(30)2726(29)34)14181215(2)28(16(18)3)1997817(1319)25(32)33h514H4H213H3(H3233)(H273034)b2014+
MFCD08678304
ZINC000009934790
ZINC9934790
Check stock
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Check stock on Vitas-MAvailable files
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