Vitas-M small molecule compound

(2E)-1-(1,5-dimethyl-1H-pyrazol-4-yl)-3-{4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}prop-2-en-1-one

Catalog ID
STL401851
SMILES COc1ccc(cc1Cn1ccc(n1)[N+](=O)[O-])/C=C/C(=O)c1cnn(c1C)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 C19H19N5O4 MW 381.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5O4/c1-13-16(11-20-22(13)2)17(25)6-4-14-5-7-18(28-3)15(10-14)12-23-9-8-19(21-23)24(26)27/h4-11H,12H2,1-3H3/b6-4+
InChIKey
QIRLVIGJWDIHOB-GQCTYLIASA-N
Synonyms
1005602-87-8
(2E)1(15dimethyl1Hpyrazol4yl)3(4methoxy3((3nitro1Hpyrazol1yl)methyl)phenyl)prop2en1one
(E)1(15DIMETHYLPYRAZOL4YL)3(4METHOXY3((3NITROPYRAZOL1YL)METHYL)PHENYL)PROP2EN1ONE
1005602878
CC1=C(C=NN1C)C(=O)C=CC2=CC(=C(C=C2)OC)CN3C=CC(=N3)(N+)(=O)(O)
COc1ccc(cc1Cn1ccc(n1)(N+)(=O)(O))C=CC(=O)c1cnn(c1C)C
InChI=1SC19H19N5O4c11316(112022(13)2)17(25)64145718(283)15(1014)12239819(2123)24(26)27h411H12H213H3b64+
MFCD04133818
ZINC000006921745
ZINC06921745
ZINC6921745

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Available files

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