Vitas-M small molecule compound
4-nitrobenzyl 4-chloro-1-methyl-1H-pyrazole-3-carboxylate
Catalog ID
STK188496
SMILES Cn1cc(c(n1)C(=O)OCc1ccc(cc1)[N+](=O)[O-])Cl
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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 C12H10ClN3O4 MW 295.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClN3O4/c1-15-6-10(13)11(14-15)12(17)20-7-8-2-4-9(5-3-8)16(18)19/h2-6H,7H2,1H3InChIKey
NLECLYFJQGHPSB-UHFFFAOYSA-NSynonyms
955962-70-6(4NITROPHENYL)METHYL4CHLORO1METHYLPYRAZOLE3CARBOXYLATE
4NITROBENZYL4CHLORO1METHYL1HPYRAZOLE3CARBOXYLATE
955962706
CN1C=C(C(=N1)C(=O)OCC2=CC=C(C=C2)(N+)(=O)(O))Cl
Cn1cc(c(n1)C(=O)OCc1ccc(cc1)(N+)(=O)(O))Cl
InChI=1SC12H10ClN3O4c115610(13)11(1415)12(17)2078249(538)16(18)19h26H7H21H3
MFCD05998077
ZINC000001072028
ZINC01072028
ZINC1072028
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