Vitas-M small molecule compound
(4E)-4-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK667246
SMILES Clc1ccc(c(c1)c1ccc(o1)/C=C/1\C(=NN(C1=O)c1nnn[nH]1)C)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 C16H10Cl2N6O2 MW 389.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10Cl2N6O2/c1-8-11(15(25)24(21-8)16-19-22-23-20-16)7-10-3-5-14(26-10)12-6-9(17)2-4-13(12)18/h2-7H,1H3,(H,19,20,22,23)/b11-7+InChIKey
NCMUPEKWOMUHJR-YRNVUSSQSA-NSynonyms
(4E)4((5(25dichlorophenyl)furan2yl)methylidene)5methyl2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4E)4((5(25dichlorophenyl)furan2yl)methylidene)5methyl2(2Htetrazol5yl)pyrazol3one
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C4=NNN=N4
Clc1ccc(c(c1)c1ccc(o1)C=C1C(=NN(C1=O)c1nnn(nH)1)C)Cl
InChI=1SC16H10Cl2N6O2c1811(15(25)24(218)161922232016)7103514(2610)1269(17)2413(12)18h27H1H3(H19202223)b117+
MFCD09562977
ZINC000102653652
ZINC102653652
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