Vitas-M small molecule compound
(2E)-1-cyclopropyl-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-en-1-one
Catalog ID
STK834683
SMILES COc1ccc(cc1Cn1nc(c(c1C)[N+](=O)[O-])C)/C=C/C(=O)C1CC1
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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 C19H21N3O4 MW 355.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4/c1-12-19(22(24)25)13(2)21(20-12)11-16-10-14(5-9-18(16)26-3)4-8-17(23)15-6-7-15/h4-5,8-10,15H,6-7,11H2,1-3H3/b8-4+InChIKey
DGJWKPZXDNGUBH-XBXARRHUSA-NSynonyms
376602-35-6(2E)1cyclopropyl3(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)prop2en1one
(E)1cyclopropyl3(3((35dimethyl4nitro1Hpyrazol1yl)methyl)4methoxyphenyl)prop2en1one
(E)1CYCLOPROPYL3(3((35DIMETHYL4NITROPYRAZOL1YL)METHYL)4METHOXYPHENYL)PROP2EN1ONE
1CYCLOPROPYL3(3((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)4METHOXYPHENYL)2PROPEN1ONE
376602356
CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)C3CC3)OC)C)(N+)(=O)(O)
COc1ccc(cc1Cn1nc(c(c1C)(N+)(=O)(O))C)C=CC(=O)C1CC1
InChI=1SC19H21N3O4c11219(22(24)25)13(2)21(2012)11161014(5918(16)263)4817(23)156715h4581015H6711H213H3b84+
MFCD01417279
ZINC000001213354
ZINC01213354
ZINC1213354
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