Vitas-M small molecule compound
(1E,4E)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1,5-bis(1-methyl-1H-pyrazol-4-yl)penta-1,4-dien-3-one
Catalog ID
STL412525
SMILES Cn1ncc(c1)/C=C/C(=O)/C(=C\c1cnn(c1)C)/n1nc(c(c1C)[N+](=O)[O-])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 C18H19N7O3 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O3/c1-12-18(25(27)28)13(2)24(21-12)16(7-15-9-20-23(4)11-15)17(26)6-5-14-8-19-22(3)10-14/h5-11H,1-4H3/b6-5+,16-7+InChIKey
GVOCQBQKUPVJMU-OWRQJNCQSA-NSynonyms
(1E4E)2(35dimethyl4nitro1Hpyrazol1yl)15bis(1methyl1Hpyrazol4yl)penta14dien3one
CC1=C(C(=NN1C(=CC2=CN(N=C2)C)C(=O)C=CC3=CN(N=C3)C)C)(N+)(=O)(O)
Cn1ncc(c1)C=CC(=O)C(=Cc1cnn(c1)C)n1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC18H19N7O3c11218(25(27)28)13(2)24(2112)16(71592023(4)1115)17(26)651481922(3)1014h511H14H3b65+167+
MFCD18374174
ZINC000072334186
ZINC72334186
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