Vitas-M small molecule compound
4-(5-{(E)-[1-(4-bromophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK171021
SMILES Brc1ccc(cc1)N1C(=O)NC(=O)/C(=C\c2ccc(o2)c2ccc(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 C22H13BrN2O6 MW 481.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H13BrN2O6/c23-14-5-7-15(8-6-14)25-20(27)17(19(26)24-22(25)30)11-16-9-10-18(31-16)12-1-3-13(4-2-12)21(28)29/h1-11H,(H,28,29)(H,24,26,30)/b17-11+InChIKey
PLHRJBXKMSMDBB-GZTJUZNOSA-NSynonyms
(Z)4(5((1(4bromophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
4(5((E)(1(4BROMOPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
4(5((E)(1(4BROMOPHENYL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOICACID
Brc1ccc(cc1)N1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)O)C1=O
C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)Br)C(=O)O
InChI=1SC22H13BrN2O6c23145715(8614)2520(27)17(19(26)2422(25)30)111691018(3116)121313(4212)21(28)29h111H(H2829)(H242630)b1711+
MFCD02213225
ZINC000001203732
ZINC1203732
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