Vitas-M small molecule compound

sodium (2E)-4-(1,5-dimethyl-1H-pyrazol-4-yl)-1,1-difluoro-4-oxobut-2-en-2-olate

Catalog ID
STK349456
SMILES [Na]O/C(=C/C(=O)c1cnn(c1C)C)/C(F)F

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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 C9H9F2N2NaO2 MW 238.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10F2N2O2.Na/c1-5-6(4-12-13(5)2)7(14)3-8(15)9(10)11;/h3-4,9,15H,1-2H3;/q;+1/p-1/b8-3+;
InChIKey
BZDQIVKEHQZHLE-DCDCITSCSA-M
Synonyms
1300739-89-2
(Na)OC(=CC(=O)c1cnn(c1C)C)C(F)F
1300739892
CC1=C(C=NN1C)C(=O)C=C(C(F)F)(O)(Na+)
InChI=1SC9H10F2N2O2Nac156(41213(5)2)7(14)38(15)9(10)11h34915H12H3q+1p1b83+
MFCD04968775
sodium(2E)4(15dimethyl1Hpyrazol4yl)11difluoro4oxobut2en2olate
sodium(E)4(15dimethylpyrazol4yl)11difluoro4oxobut2en2olate
SODIUM4(15DIMETHYL1HPYRAZOL4YL)11DIFLUORO4OXOBUT2EN2OLATE

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.