Vitas-M small molecule compound
4-{(E)-[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-2-ethoxyphenyl 3-nitrobenzoate
Catalog ID
STL417990
SMILES CCOc1cc(/C=N/Nc2nc3c(s2)cccc3)ccc1OC(=O)c1cccc(c1)[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 C23H18N4O5S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O5S/c1-2-31-20-12-15(14-24-26-23-25-18-8-3-4-9-21(18)33-23)10-11-19(20)32-22(28)16-6-5-7-17(13-16)27(29)30/h3-14H,2H2,1H3,(H,25,26)/b24-14+InChIKey
BROPHTOLGLEYLS-ZVHZXABRSA-NSynonyms
(4((E)(13benzothiazol2ylhydrazinylidene)methyl)2ethoxyphenyl)3nitrobenzoate
4((E)(2(13benzothiazol2yl)hydrazinylidene)methyl)2ethoxyphenyl3nitrobenzoate
CCOC1=C(C=CC(=C1)C=NNC2=NC3=CC=CC=C3S2)OC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
CCOc1cc(C=NNc2nc3c(s2)cccc3)ccc1OC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18N4O5Sc1231201215(142426232518834921(18)3323)101119(20)3222(28)1665717(1316)27(29)30h314H2H21H3(H2526)b2414+
MFCD01026948
ZINC000009310228
ZINC33429177
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