Vitas-M small molecule compound
N'-[(E)-{4-[(1,1-dioxido-1,2-benzothiazol-3-yl)oxy]-3-methoxyphenyl}methylidene]-4-nitrobenzohydrazide
Catalog ID
STL287205
SMILES COc1cc(/C=N/NC(=O)c2ccc(cc2)[N+](=O)[O-])ccc1OC1=NS(=O)(=O)c2c1cccc2
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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 C22H16N4O7S MW 480.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16N4O7S/c1-32-19-12-14(13-23-24-21(27)15-7-9-16(10-8-15)26(28)29)6-11-18(19)33-22-17-4-2-3-5-20(17)34(30,31)25-22/h2-13H,1H3,(H,24,27)/b23-13+InChIKey
LEOWPCFTTGNDGN-YDZHTSKRSA-NSynonyms
COC1=C(C=CC(=C1)C=NNC(=O)C2=CC=C(C=C2)(N+)(=O)(O))OC3=NS(=O)(=O)C4=CC=CC=C43
COc1cc(C=NNC(=O)c2ccc(cc2)(N+)(=O)(O))ccc1OC1=NS(=O)(=O)c2c1cccc2
InChI=1SC22H16N4O7Sc132191214(13232421(27)157916(10815)26(28)29)61118(19)332217423520(17)34(3031)2522h213H1H3(H2427)b2313+
MFCD24847445
N((E)(4((11dioxido12benzothiazol3yl)oxy)3methoxyphenyl)methylidene)4nitrobenzohydrazide
N((E)(4((11dioxo12benzothiazol3yl)oxy)3methoxyphenyl)methylideneamino)4nitrobenzamide
ZINC000095481836
ZINC101349046
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