Vitas-M small molecule compound
4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-2-methoxyphenyl 4-nitrobenzoate
Catalog ID
STL417991
SMILES COc1cc(/C=N/Nc2nc3c(s2)cccc3)ccc1OC(=O)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 C22H16N4O5S MW 448.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O5S/c1-30-19-12-14(13-23-25-22-24-17-4-2-3-5-20(17)32-22)6-11-18(19)31-21(27)15-7-9-16(10-8-15)26(28)29/h2-13H,1H3,(H,24,25)/b23-13+InChIKey
MURKFWRZHBTQRB-YDZHTSKRSA-NSynonyms
(4((E)(13benzothiazol2ylhydrazinylidene)methyl)2methoxyphenyl)4nitrobenzoate
4((1E)2(BENZOTHIAZOL2YLAMINO)2AZAVINYL)2METHOXYPHENYL4NITROBENZOATE
4((E)(2(13benzothiazol2yl)hydrazinylidene)methyl)2methoxyphenyl4nitrobenzoate
COC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC=C(C=C4)(N+)(=O)(O)
COc1cc(C=NNc2nc3c(s2)cccc3)ccc1OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H16N4O5Sc130191214(132325222417423520(17)3222)61118(19)3121(27)157916(10815)26(28)29h213H1H3(H2425)b2313+
MFCD01963427
ZINC000006906816
ZINC33930570
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