Vitas-M small molecule compound
methyl [(4Z)-4-(4-methoxybenzylidene)-1-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetate
Catalog ID
STK099947
SMILES COC(=O)CC1=NN(C(=O)/C/1=C\c1ccc(cc1)OC)c1ccc(cc1)[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 C20H17N3O6 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O6/c1-28-16-9-3-13(4-10-16)11-17-18(12-19(24)29-2)21-22(20(17)25)14-5-7-15(8-6-14)23(26)27/h3-11H,12H2,1-2H3/b17-11-InChIKey
YXYVQFMLYXPIIT-BOPFTXTBSA-NSynonyms
COC(=O)CC1=NN(C(=O)C1=Cc1ccc(cc1)OC)c1ccc(cc1)(N+)(=O)(O)
COC1=CC=C(C=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)(N+)(=O)(O))CC(=O)OC
InChI=1SC20H17N3O6c128169313(41016)111718(1219(24)292)2122(20(17)25)145715(8614)23(26)27h311H12H212H3b1711
METHYL((4Z)4(4METHOXYBENZYLIDENE)1(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOL3YL)ACETATE
METHYL2((4Z)4((4METHOXYPHENYL)METHYLIDENE)1(4NITROPHENYL)5OXOPYRAZOL3YL)ACETATE
MFCD03487308
STK099947
ZINC000023017461
ZINC23017461
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