Vitas-M small molecule compound
4-(2-{(E)-[1-(2,4-dimethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Catalog ID
STK143758
SMILES COc1ccc(c(c1)OC)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 C24H19N3O7 MW 461.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O7/c1-33-17-9-10-19(20(13-17)34-2)27-22(29)18(21(28)25-24(27)32)12-16-4-3-11-26(16)15-7-5-14(6-8-15)23(30)31/h3-13H,1-2H3,(H,30,31)(H,25,28,32)/b18-12+InChIKey
BUPXEMQMOIHNMI-LDADJPATSA-NSynonyms
4(2((E)(1(24DIMETHOXYPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)PYRROL1YL)BENZOICACID
4(2((E)(1(24DIMETHOXYPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HPYRROL1YL)BENZOICACID
COC1=CC(=C(C=C1)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O)OC
COc1ccc(c(c1)OC)N1C(=O)NC(=O)C(=Cc2cccn2c2ccc(cc2)C(=O)O)C1=O
InChI=1SC24H19N3O7c1331791019(20(1317)342)2722(29)18(21(28)2524(27)32)1216431126(16)157514(6815)23(30)31h313H12H3(H3031)(H252832)b1812+
MFCD07546771
ZINC000009601514
ZINC9601514
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