Vitas-M small molecule compound
4-[(E)-{2-[(4-amino-1,2,5-oxadiazol-3-yl)carbonyl]hydrazinylidene}methyl]-2-methoxyphenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK374571
SMILES COc1cc(/C=N/NC(=O)c2nonc2N)ccc1OC(=O)c1cc(F)c(cc1Cl)F
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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 C18H12ClF2N5O5 MW 451.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClF2N5O5/c1-29-14-4-8(7-23-24-17(27)15-16(22)26-31-25-15)2-3-13(14)30-18(28)9-5-11(20)12(21)6-10(9)19/h2-7H,1H3,(H2,22,26)(H,24,27)/b23-7+InChIKey
ZMCWKVSLIYNNGT-HCGXMYGOSA-NSynonyms
(4((E)((4AMINO125OXADIAZOLE3CARBONYL)HYDRAZINYLIDENE)METHYL)2METHOXYPHENYL)2CHLORO45DIFLUOROBENZOATE
4((E)(2((4amino125oxadiazol3yl)carbonyl)hydrazinylidene)methyl)2methoxyphenyl2chloro45difluorobenzoate
COC1=C(C=CC(=C1)C=NNC(=O)C2=NON=C2N)OC(=O)C3=CC(=C(C=C3Cl)F)F
COc1cc(C=NNC(=O)c2nonc2N)ccc1OC(=O)c1cc(F)c(cc1Cl)F
InChI=1SC18H12ClF2N5O5c1291448(7232417(27)1516(22)26312515)2313(14)3018(28)9511(20)12(21)610(9)19h27H1H3(H22226)(H2427)b237+
MFCD01029685
ZINC000000713962
ZINC33336101
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