Vitas-M small molecule compound

methyl 1-[(2-chloro-4-nitrophenoxy)methyl]-1H-pyrazole-3-carboxylate

Catalog ID
STK312430
SMILES COC(=O)c1ccn(n1)COc1ccc(cc1Cl)[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 C12H10ClN3O5 MW 311.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClN3O5/c1-20-12(17)10-4-5-15(14-10)7-21-11-3-2-8(16(18)19)6-9(11)13/h2-6H,7H2,1H3
InChIKey
NWTFJUFIHFUIMQ-UHFFFAOYSA-N
Synonyms
1001499-91-7
1(2CHLORO4NITROPHENOXYMETHYL)1HPYRAZOLE3CARBOXYLICACIDMETHYLESTER
1001499917
COC(=O)C1=NN(C=C1)COC2=C(C=C(C=C2)(N+)(=O)(O))Cl
COC(=O)c1ccn(n1)COc1ccc(cc1Cl)(N+)(=O)(O)
InChI=1SC12H10ClN3O5c12012(17)104515(1410)72111328(16(18)19)69(11)13h26H7H21H3
methyl1((2chloro4nitrophenoxy)methyl)1Hpyrazole3carboxylate
METHYL1((2CHLORO4NITROPHENOXY)METHYL)PYRAZOLE3CARBOXYLATE
MFCD04969149
ZINC000002536975
ZINC02536975
ZINC2536975

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Available files

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