Vitas-M small molecule compound
(4Z)-5-methyl-4-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK667256
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(o1)c1ccc(cc1)[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)8-12-6-7-14(27-12)10-2-4-11(5-3-10)23(25)26/h2-8H,1H3,(H,17,18,20,21)/b13-8-InChIKey
JICSPTLUWOCIQH-JYRVWZFOSA-NSynonyms
(4Z)5methyl4((5(4nitrophenyl)furan2yl)methylidene)2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4Z)5METHYL4((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2(2HTETRAZOL5YL)PYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))c1nnn(nH)1
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))C4=NNN=N4
InChI=1SC16H11N7O4c1913(15(24)22(199)161720211816)8126714(2712)102411(5310)23(25)26h28H1H3(H17182021)b138
MFCD06616959
ZINC000012412876
ZINC12412876
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