Vitas-M small molecule compound
5-bromo-2-(5-{(E)-[3-methyl-5-oxo-1-(1H-tetrazol-5-yl)-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK202636
SMILES Brc1ccc(c(c1)C(=O)O)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1nnn[nH]1)C
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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 C17H11BrN6O4 MW 443.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11BrN6O4/c1-8-12(15(25)24(21-8)17-19-22-23-20-17)7-10-3-5-14(28-10)11-4-2-9(18)6-13(11)16(26)27/h2-7H,1H3,(H,26,27)(H,19,20,22,23)/b12-7+InChIKey
XRKNWHCEIXRIPH-KPKJPENVSA-NSynonyms
5bromo2(5((E)(3methyl5oxo1(1Htetrazol5yl)15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
5bromo2(5((E)(3methyl5oxo1(2Htetrazol5yl)pyrazol4ylidene)methyl)furan2yl)benzoicacid
Brc1ccc(c(c1)C(=O)O)c1ccc(o1)C=C1C(=NN(C1=O)c1nnn(nH)1)C
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)Br)C(=O)O)C4=NNN=N4
InChI=1SC17H11BrN6O4c1812(15(25)24(218)171922232017)7103514(2810)11429(18)613(11)16(26)27h27H1H3(H2627)(H19202223)b127+
MFCD07433332
ZINC000101058997
ZINC101058997
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