Vitas-M small molecule compound
(4Z)-4-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-5-methyl-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK667378
SMILES COc1ccc(c(c1)[N+](=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 C17H13N7O5 MW 395.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N7O5/c1-9-13(16(25)23(20-9)17-18-21-22-19-17)7-11-4-6-15(29-11)12-5-3-10(28-2)8-14(12)24(26)27/h3-8H,1-2H3,(H,18,19,21,22)/b13-7-InChIKey
TZPFZPCTXQXZPS-QPEQYQDCSA-NSynonyms
(4Z)4((5(4methoxy2nitrophenyl)furan2yl)methylidene)5methyl2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4Z)4((5(4METHOXY2NITROPHENYL)FURAN2YL)METHYLIDENE)5METHYL2(2HTETRAZOL5YL)PYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC=C(O2)C3=C(C=C(C=C3)OC)(N+)(=O)(O))C4=NNN=N4
COc1ccc(c(c1)(N+)(=O)(O))c1ccc(o1)C=C1C(=NN(C1=O)c1nnn(nH)1)C
InChI=1SC17H13N7O5c1913(16(25)23(209)171821221917)7114615(2911)125310(282)814(12)24(26)27h38H12H3(H18192122)b137
MFCD05860411
ZINC000012412886
ZINC12412886
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