Vitas-M small molecule compound

4-(5-{(Z)-[1-(3-bromophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK623292
SMILES Brc1cccc(c1)N1C(=O)N=C(/C(=C/c2ccc(o2)c2ccc(cc2)C(=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/c23-14-2-1-3-15(10-14)25-20(27)17(19(26)24-22(25)30)11-16-8-9-18(31-16)12-4-6-13(7-5-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11-
InChIKey
NOFNCPBHNIIOQB-BOPFTXTBSA-N
Synonyms

4(5((Z)(1(3BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((Z)(1(3bromophenyl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
Brc1cccc(c1)N1C(=O)N=C(C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O)O
InChI=1SC22H13BrN2O6c231421315(1014)2520(27)17(19(26)2422(25)30)11168918(3116)124613(7512)21(28)29h111H(H2829)(H242630)b1711
MFCD09795153
ZINC000033321828
ZINC33321828

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Available files

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