Vitas-M small molecule compound
5-{5-[(Z)-(2,4,6-trioxo-1-phenyltetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzene-1,3-dicarboxylic acid
Catalog ID
STL369360
SMILES OC(=O)c1cc(cc(c1)C(=O)O)c1ccc(o1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccccc1
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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 C23H14N2O8 MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O8/c26-19-17(20(27)25(23(32)24-19)15-4-2-1-3-5-15)11-16-6-7-18(33-16)12-8-13(21(28)29)10-14(9-12)22(30)31/h1-11H,(H,28,29)(H,30,31)(H,24,26,32)/b17-11-InChIKey
XSCGNRRJLSGRTN-BOPFTXTBSA-NSynonyms
5(5((Z)(246TRIOXO1PHENYL13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
5(5((Z)(246trioxo1phenyltetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzene13dicarboxylicacid
C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)C(=O)NC2=O
InChI=1SC23H14N2O8c261917(20(27)25(23(32)2419)154213515)11166718(3316)12813(21(28)29)1014(912)22(30)31h111H(H2829)(H3031)(H242632)b1711
MFCD05040321
OC(=O)c1cc(cc(c1)C(=O)O)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccccc1
ZINC000009234444
ZINC9234444
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