Vitas-M small molecule compound
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]butyl 4-nitrobenzoate
Catalog ID
STK130233
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])OCCCCNC1=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 C18H17N3O6S MW 403.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6S/c22-18(13-7-9-14(10-8-13)21(23)24)27-12-4-3-11-19-17-15-5-1-2-6-16(15)28(25,26)20-17/h1-2,5-10H,3-4,11-12H2,(H,19,20)InChIKey
OTENBFAFBBLNLI-UHFFFAOYSA-NSynonyms
4((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)BUTYL4NITROBENZOATE
4((11DIOXO12BENZOTHIAZOL3YL)AMINO)BUTYL4NITROBENZOATE
C1=CC=C2C(=C1)C(=NS2(=O)=O)NCCCCOC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC18H17N3O6Sc2218(137914(10813)21(23)24)27124311191715512616(15)28(2526)2017h12510H341112H2(H1920)
MFCD02951089
O=C(c1ccc(cc1)(N+)(=O)(O))OCCCCNC1=NS(=O)(=O)c2c1cccc2
ZINC000002826539
ZINC02826539
ZINC2826539
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