Vitas-M small molecule compound
3-[(E)-{2-[(3-methyl-1H-pyrazol-5-yl)carbonyl]hydrazinylidene}methyl]phenyl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK249302
SMILES Cc1n[nH]c(c1)C(=O)N/N=C/c1cccc(c1)OC(=O)c1ccc2c(c1)OCO2
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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 C20H16N4O5 MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O5/c1-12-7-16(23-22-12)19(25)24-21-10-13-3-2-4-15(8-13)29-20(26)14-5-6-17-18(9-14)28-11-27-17/h2-10H,11H2,1H3,(H,22,23)(H,24,25)/b21-10+InChIKey
JBJCZYNUFZKQCS-UFFVCSGVSA-NSynonyms
(3((E)((5methyl1Hpyrazole3carbonyl)hydrazinylidene)methyl)phenyl)13benzodioxole5carboxylate
3((E)(2((3methyl1Hpyrazol5yl)carbonyl)hydrazinylidene)methyl)phenyl13benzodioxole5carboxylate
CC1=CC(=NN1)C(=O)NN=CC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4
Cc1n(nH)c(c1)C(=O)NN=Cc1cccc(c1)OC(=O)c1ccc2c(c1)OCO2
InChI=1SC20H16N4O5c112716(232212)19(25)2421101332415(813)2920(26)14561718(914)28112717h210H11H21H3(H2223)(H2425)b2110+
MFCD00646805
ZINC000008026352
ZINC98031306
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