Vitas-M small molecule compound

methyl 3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carboxylate

Catalog ID
STK954171
SMILES COC(=O)c1[nH]nc(c1)c1c(C)nn(c1C)c1ccccc1

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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 C16H16N4O2 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2/c1-10-15(13-9-14(18-17-13)16(21)22-3)11(2)20(19-10)12-7-5-4-6-8-12/h4-9H,1-3H3,(H,17,18)
InChIKey
DVHMONYJXWOCEJ-UHFFFAOYSA-N
Synonyms
890006-26-5
890006265
CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NNC(=C3)C(=O)OC
COC(=O)c1(nH)nc(c1)c1c(C)nn(c1C)c1ccccc1
InChI=1SC16H16N4O2c11015(13914(181713)16(21)223)11(2)20(1910)127546812h49H13H3(H1718)
METHYL3(35DIMETHYL1PHENYLPYRAZOL4YL)1HPYRAZOLE5CARBOXYLATE
METHYL3(35DIMETHYL1PHENYLPYRAZOL4YL)PYRAZOLE5CARBOXYLATE
methyl35dimethyl1phenyl1H1H(34bipyrazole)5carboxylate
methyl35dimethyl1phenyl1H1H34bipyrazole5carboxylate
MFCD05683877
ZINC000018152941
ZINC18152941

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Available files

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