Vitas-M small molecule compound

2-(2,4-dinitrophenyl)-5-heptadecyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK367247
SMILES CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1ccc(cc1[N+](=O)[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 C26H40N4O5 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N4O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26(31)28(27-22)24-19-18-23(29(32)33)21-25(24)30(34)35/h18-19,21H,2-17,20H2,1H3
InChIKey
BXWAGNNCASBCKI-UHFFFAOYSA-N
Synonyms

1(24DINITROPHENYL)3HEPTADECYL2PYRAZOLIN5ONE
2(24dinitrophenyl)5heptadecyl24dihydro3Hpyrazol3one
2(24DINITROPHENYL)5HEPTADECYL4HPYRAZOL3ONE
CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)c1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=C(C=C(C=C2)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC26H40N4O5c1234567891011121314151617222026(31)28(2722)24191823(29(32)33)2125(24)30(34)35h181921H21720H21H3
MFCD00328399
ZINC000102099202
ZINC102099202

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Available files

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