Vitas-M small molecule compound
(4E)-5-methyl-4-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK667240
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1cccc(c1)[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 C16H11N7O4 MW 365.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N7O4/c1-9-13(15(24)22(19-9)16-17-20-21-18-16)8-12-5-6-14(27-12)10-3-2-4-11(7-10)23(25)26/h2-8H,1H3,(H,17,18,20,21)/b13-8+InChIKey
DPKLSVHUEPYXBH-MDWZMJQESA-NSynonyms
(4E)5methyl4((5(3nitrophenyl)furan2yl)methylidene)2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4E)5methyl4((5(3nitrophenyl)furan2yl)methylidene)2(2Htetrazol5yl)pyrazol3one
CC1=NN(C(=O)C1=Cc1ccc(o1)c1cccc(c1)(N+)(=O)(O))c1nnn(nH)1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC(=CC=C3)(N+)(=O)(O))C4=NNN=N4
InChI=1SC16H11N7O4c1913(15(24)22(199)161720211816)8125614(2712)1032411(710)23(25)26h28H1H3(H17182021)b138+
MFCD05131088
ZINC000102570556
ZINC102570556
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