Vitas-M small molecule compound
(3E)-1-ethyl-3-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-5-nitro-1,3-dihydro-2H-indol-2-one
Catalog ID
STK980253
SMILES CCN1c2ccc(cc2/C(=C\2/C(=NN(C2=O)c2ccccc2)C)/C1=O)[N+](=O)[O-]
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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 C20H16N4O4 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4/c1-3-22-16-10-9-14(24(27)28)11-15(16)18(19(22)25)17-12(2)21-23(20(17)26)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b18-17+InChIKey
FHBLGFYGBXAQBP-ISLYRVAYSA-NSynonyms
(3E)1ethyl3(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)5nitro13dihydro2Hindol2one
(3E)1ETHYL3(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)5NITROINDOL2ONE
CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=C3C(=NN(C3=O)C4=CC=CC=C4)C)C1=O
CCN1c2ccc(cc2C(=C2C(=NN(C2=O)c2ccccc2)C)C1=O)(N+)(=O)(O)
InChI=1SC20H16N4O4c13221610914(24(27)28)1115(16)18(19(22)25)1712(2)2123(20(17)26)137546813h411H3H212H3b1817+
MFCD03718064
ZINC000004907410
ZINC04907410
ZINC4907410
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