Vitas-M small molecule compound
methyl 4-{(2E)-2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoate
Catalog ID
STK088636
SMILES COC(=O)c1ccc(cc1)N/N=C/1\C(=NN(C1=O)c1ccc(cc1)[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 C18H15N5O5 MW 381.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O5/c1-11-16(20-19-13-5-3-12(4-6-13)18(25)28-2)17(24)22(21-11)14-7-9-15(10-8-14)23(26)27/h3-10,19H,1-2H3/b20-16+InChIKey
WIXFZKNYTQEESX-CAPFRKAQSA-NSynonyms
CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)C(=O)OC)C3=CC=C(C=C3)(N+)(=O)(O)
COC(=O)c1ccc(cc1)NN=C1C(=NN(C1=O)c1ccc(cc1)(N+)(=O)(O))C
InChI=1SC18H15N5O5c11116(2019135312(4613)18(25)282)17(24)22(2111)147915(10814)23(26)27h31019H12H3b2016+
METHYL4((2E)2(3METHYL1(4NITROPHENYL)5OXO15DIHYDRO4HPYRAZOL4YLIDENE)HYDRAZINYL)BENZOATE
METHYL4((2E)2(3METHYL1(4NITROPHENYL)5OXOPYRAZOL4YLIDENE)HYDRAZINYL)BENZOATE
MFCD01418878
STK088636
ZINC000100281679
ZINC04673253
ZINC4673253
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