Vitas-M small molecule compound
(4E)-5-methyl-4-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-2-(1H-tetrazol-5-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK667254
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(o1)c1cc(ccc1C)[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 C17H13N7O4 MW 379.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13N7O4/c1-9-3-4-11(24(26)27)7-13(9)15-6-5-12(28-15)8-14-10(2)20-23(16(14)25)17-18-21-22-19-17/h3-8H,1-2H3,(H,18,19,21,22)/b14-8+InChIKey
NRMZMASPFDODEZ-RIYZIHGNSA-NSynonyms
(4E)5methyl4((5(2methyl5nitrophenyl)furan2yl)methylidene)2(1Htetrazol5yl)24dihydro3Hpyrazol3one
(4E)5methyl4((5(2methyl5nitrophenyl)furan2yl)methylidene)2(2Htetrazol5yl)pyrazol3one
CC1=C(C=C(C=C1)(N+)(=O)(O))C2=CC=C(O2)C=C3C(=NN(C3=O)C4=NNN=N4)C
CC1=NN(C(=O)C1=Cc1ccc(o1)c1cc(ccc1C)(N+)(=O)(O))c1nnn(nH)1
InChI=1SC17H13N7O4c193411(24(26)27)713(9)156512(2815)81410(2)2023(16(14)25)171821221917h38H12H3(H18192122)b148+
MFCD09562542
ZINC000016347945
ZINC16347945
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