Vitas-M small molecule compound

methyl 4-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-2,4-dioxobutanoate

Catalog ID
STL246495
SMILES COC(=O)C(=O)CC(=O)c1c(C)nn(c1C)C(C)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 C13H18N2O4 MW 266.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N2O4/c1-7(2)15-9(4)12(8(3)14-15)10(16)6-11(17)13(18)19-5/h7H,6H2,1-5H3
InChIKey
YLKDWDNUFHGGSH-UHFFFAOYSA-N
Synonyms
1351393-81-1
1351393811
CC1=C(C(=NN1C(C)C)C)C(=O)CC(=O)C(=O)OC
InChI=1SC13H18N2O4c17(2)159(4)12(8(3)1415)10(16)611(17)13(18)195h7H6H215H3
METHYL4(1ISOPROPYL35DIMETHYL1HPYRAZOL4YL)24DIOXOBUTANOATE
methyl4(35dimethyl1(propan2yl)1Hpyrazol4yl)24dioxobutanoate
methyl4(35dimethyl1propan2ylpyrazol4yl)24dioxobutanoate
MFCD20502385
ZINC000100475913
ZINC100475913

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Available files

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