Vitas-M small molecule compound
(4E)-4-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK667377
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1ccc(cc1Br)[N+](=O)[O-])c1nnn[nH]1
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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 C16H10BrN7O4 MW 444.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10BrN7O4/c1-8-12(15(25)23(20-8)16-18-21-22-19-16)7-10-3-5-14(28-10)11-4-2-9(24(26)27)6-13(11)17/h2-7H,1H3,(H,18,19,21,22)/b12-7+InChIKey
HNPRTACGJSEJAN-KPKJPENVSA-NSynonyms
(4E)4((5(2bromo4nitrophenyl)furan2yl)methylidene)5methyl2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4E)4((5(2bromo4nitrophenyl)furan2yl)methylidene)5methyl2(2Htetrazol5yl)pyrazol3one
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(cc1Br)(N+)(=O)(O))c1nnn(nH)1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Br)C4=NNN=N4
InChI=1SC16H10BrN7O4c1812(15(25)23(208)161821221916)7103514(2810)11429(24(26)27)613(11)17h27H1H3(H18192122)b127+
MFCD05132286
ZINC000102570518
ZINC102570518
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