Vitas-M small molecule compound

4-(5-{(E)-[1-(2,3-dichlorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STK201338
SMILES OC(=O)c1ccc(cc1)c1ccc(o1)/C=C/1\C(=O)NC(=O)N(C1=O)c1cccc(c1Cl)Cl

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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 C22H12Cl2N2O6 MW 471.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12Cl2N2O6/c23-15-2-1-3-16(18(15)24)26-20(28)14(19(27)25-22(26)31)10-13-8-9-17(32-13)11-4-6-12(7-5-11)21(29)30/h1-10H,(H,29,30)(H,25,27,31)/b14-10+
InChIKey
AUIRKMMNKNKXFZ-GXDHUFHOSA-N
Synonyms

4(5((E)(1(23dichlorophenyl)246trioxo13diazinan5ylidene)methyl)furan2yl)benzoicacid
4(5((E)(1(23DICHLOROPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
C1=CC(=C(C(=C1)Cl)Cl)N2C(=O)C(=CC3=CC=C(O3)C4=CC=C(C=C4)C(=O)O)C(=O)NC2=O
InChI=1SC22H12Cl2N2O6c231521316(18(15)24)2620(28)14(19(27)2522(26)31)10138917(3213)114612(7511)21(29)30h110H(H2930)(H252731)b1410+
MFCD06666588
OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1Cl)Cl
ZINC000009934907
ZINC9934907

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Available files

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