Vitas-M small molecule compound
2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl 1-methyl-4-nitro-1H-pyrazole-5-carboxylate
Catalog ID
STL356291
SMILES Cc1cc(n(n1)C(=O)COC(=O)c1n(C)ncc1[N+](=O)[O-])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 C12H13N5O5 MW 307.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N5O5/c1-7-4-8(2)16(14-7)10(18)6-22-12(19)11-9(17(20)21)5-13-15(11)3/h4-5H,6H2,1-3H3InChIKey
QETIBVOORLBHLU-UHFFFAOYSA-NSynonyms
404853-29-8(2(35DIMETHYLPYRAZOL1YL)2OXOETHYL)2METHYL4NITROPYRAZOLE3CARBOXYLATE
2(35dimethyl1Hpyrazol1yl)2oxoethyl1methyl4nitro1Hpyrazole5carboxylate
404853298
CC1=CC(=NN1C(=O)COC(=O)C2=C(C=NN2C)(N+)(=O)(O))C
Cc1cc(n(n1)C(=O)COC(=O)c1n(C)ncc1(N+)(=O)(O))C
InChI=1SC12H13N5O5c1748(2)16(147)10(18)62212(19)119(17(20)21)51315(11)3h45H6H213H3
MFCD02619992
ZINC000000523442
ZINC00523442
ZINC523442
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