Vitas-M small molecule compound

methyl 1-methyl-4-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}-1H-pyrazole-5-carboxylate

Catalog ID
STL399422
SMILES COC(=O)c1c(cnn1C)NC(=O)Cn1ncc(c1)[N+](=O)[O-]

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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 C11H12N6O5 MW 308.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H12N6O5/c1-15-10(11(19)22-2)8(4-12-15)14-9(18)6-16-5-7(3-13-16)17(20)21/h3-5H,6H2,1-2H3,(H,14,18)
InChIKey
SEKRVQWBXHLEFE-UHFFFAOYSA-N
Synonyms
1005575-85-8
1005575858
CN1C(=C(C=N1)NC(=O)CN2C=C(C=N2)(N+)(=O)(O))C(=O)OC
COC(=O)c1c(cnn1C)NC(=O)Cn1ncc(c1)(N+)(=O)(O)
InChI=1SC11H12N6O5c11510(11(19)222)8(41215)149(18)61657(31316)17(20)21h35H6H212H3(H1418)
METHYL1METHYL4(((4NITRO1HPYRAZOL1YL)ACETYL)AMINO)1HPYRAZOLE5CARBOXYLATE
methyl2methyl4((2(4nitropyrazol1yl)acetyl)amino)pyrazole3carboxylate
MFCD04140306
ZINC000002731110
ZINC02731110
ZINC2731110

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Available files

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