Vitas-M small molecule compound
4-(3-{(E)-[1-(2-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid
Catalog ID
STK199979
SMILES CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2C)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 C27H25N3O6 MW 487.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O6/c1-5-36-23-9-7-6-8-22(23)30-25(32)20(24(31)28-27(30)35)14-19-13-16(3)29(17(19)4)21-11-10-18(26(33)34)12-15(21)2/h6-14H,5H2,1-4H3,(H,33,34)(H,28,31,35)/b20-14+InChIKey
NKHBTVCRSUHUPP-XSFVSMFZSA-NSynonyms
4(3((E)(1(2ethoxyphenyl)246trioxo13diazinan5ylidene)methyl)25dimethylpyrrol1yl)3methylbenzoicacid
4(3((E)(1(2ETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOICACID
CCOC1=CC=CC=C1N2C(=O)C(=CC3=C(N(C(=C3)C)C4=C(C=C(C=C4)C(=O)O)C)C)C(=O)NC2=O
CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2C)C(=O)O)C)C1=O
InChI=1SC27H25N3O6c153623976822(23)3025(32)20(24(31)2827(30)35)14191316(3)29(17(19)4)21111018(26(33)34)1215(21)2h614H5H214H3(H3334)(H283135)b2014+
MFCD07138590
ZINC000009934788
ZINC9934788
Check stock
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Check stock on Vitas-MAvailable files
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