Vitas-M small molecule compound
4-[(2-bromo-4-{(Z)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzoic acid
Catalog ID
STK170272
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C/c2ccc(c(c2)Br)OCc2ccc(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 C25H16Br2N2O6 MW 600.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16Br2N2O6/c26-17-6-8-18(9-7-17)29-23(31)19(22(30)28-25(29)34)11-15-3-10-21(20(27)12-15)35-13-14-1-4-16(5-2-14)24(32)33/h1-12H,13H2,(H,32,33)(H,28,30,34)/b19-11-InChIKey
RQANIQRQXWNKGH-ODLFYWEKSA-NSynonyms
4((2bromo4((Z)(1(4bromophenyl)246trioxo13diazinan5ylidene)methyl)phenoxy)methyl)benzoicacid
4((2BROMO4((Z)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)PHENOXY)METHYL)BENZOICACID
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(c(c2)Br)OCc2ccc(cc2)C(=O)O)C1=O
C1=CC(=CC=C1COC2=C(C=C(C=C2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)Br)C(=O)O
InChI=1SC25H16Br2N2O6c26176818(9717)2923(31)19(22(30)2825(29)34)111531021(20(27)1215)3513141416(5214)24(32)33h112H13H2(H3233)(H283034)b1911
MFCD02194193
ZINC000097960519
ZINC97960519
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