Vitas-M small molecule compound
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 4-nitrobenzoate
Catalog ID
STL286955
SMILES CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)OC(=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 C21H15N3O6S MW 437.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15N3O6S/c1-23(20-18-4-2-3-5-19(18)31(28,29)22-20)15-10-12-17(13-11-15)30-21(25)14-6-8-16(9-7-14)24(26)27/h2-13H,1H3InChIKey
PONVSECHJBMSQD-UHFFFAOYSA-NSynonyms
(4((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)PHENYL)4NITROBENZOATE
4((11dioxido12benzothiazol3yl)(methyl)amino)phenyl4nitrobenzoate
CN(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O))C3=NS(=O)(=O)C4=CC=CC=C43
CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)OC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H15N3O6Sc123(2018423519(18)31(2829)2220)15101217(131115)3021(25)146816(9714)24(26)27h213H1H3
MFCD01207116
ZINC000016188740
ZINC16188740
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