Vitas-M small molecule compound
2-(5-{(Z)-[1-(4-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK606335
SMILES Brc1ccc(cc1)N1C(=O)N=C(/C(=C/c2ccc(o2)c2ccccc2C(=O)O)/C1=O)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 C22H13BrN2O6 MW 481.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13BrN2O6/c23-12-5-7-13(8-6-12)25-20(27)17(19(26)24-22(25)30)11-14-9-10-18(31-14)15-3-1-2-4-16(15)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11-InChIKey
QDHLCDKOLUXOGD-BOPFTXTBSA-NSynonyms
2(5((Z)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
2(5((Z)(1(4bromophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
Brc1ccc(cc1)N1C(=O)N=C(C(=Cc2ccc(o2)c2ccccc2C(=O)O)C1=O)O
C1=CC=C(C(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)C(=O)O
InChI=1SC22H13BrN2O6c23125713(8612)2520(27)17(19(26)2422(25)30)111491018(3114)15312416(15)21(28)29h111H(H2829)(H242630)b1711
MFCD08735126
ZINC000017058858
ZINC17058858
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