Vitas-M small molecule compound
4-{(E)-[2-(1,1-dioxido-1,2-benzothiazol-3-yl)hydrazinylidene]methyl}-2-methoxyphenyl benzoate
Catalog ID
STL286922
SMILES COc1cc(/C=N/NC2=NS(=O)(=O)c3c2cccc3)ccc1OC(=O)c1ccccc1
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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 C22H17N3O5S MW 435.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S/c1-29-19-13-15(11-12-18(19)30-22(26)16-7-3-2-4-8-16)14-23-24-21-17-9-5-6-10-20(17)31(27,28)25-21/h2-14H,1H3,(H,24,25)/b23-14+InChIKey
NRKXAFUJQFOMQI-OEAKJJBVSA-NSynonyms
(4((E)((11dioxo12benzothiazol3yl)hydrazinylidene)methyl)2methoxyphenyl)benzoate
4((1E)2((11DIOXOBENZO(D)12THIAZOLIN3YL)AMINO)2AZAVINYL)2METHOXYPHENYLBENZOATE
4((E)(2(11dioxido12benzothiazol3yl)hydrazinylidene)methyl)2methoxyphenylbenzoate
COC1=C(C=CC(=C1)C=NNC2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=CC=C4
COc1cc(C=NNC2=NS(=O)(=O)c3c2cccc3)ccc1OC(=O)c1ccccc1
InChI=1SC22H17N3O5Sc129191315(111218(19)3022(26)167324816)14232421179561020(17)31(2728)2521h214H1H3(H2425)b2314+
MFCD01209213
ZINC000016196089
ZINC33601572
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