Vitas-M small molecule compound
4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(methyl)amino]phenyl 2-bromobenzoate
Catalog ID
STK386991
SMILES O=C(c1ccccc1Br)Oc1ccc(cc1)N(C1=NS(=O)(=O)c2c1cccc2)C
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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 C21H15BrN2O4S MW 471.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN2O4S/c1-24(20-17-7-3-5-9-19(17)29(26,27)23-20)14-10-12-15(13-11-14)28-21(25)16-6-2-4-8-18(16)22/h2-13H,1H3InChIKey
TYESIISLFZPXPH-UHFFFAOYSA-NSynonyms
(4((11DIOXO12BENZOTHIAZOL3YL)METHYLAMINO)PHENYL)2BROMOBENZOATE
4((11DIOXIDO12BENZOTHIAZOL3YL)(METHYL)AMINO)PHENYL2BROMOBENZOATE
4((11DIOXOBENZO(D)12THIAZOLIN3YL)METHYLAMINO)PHENYL2BROMOBENZOATE
CN(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2Br)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC21H15BrN2O4Sc124(2017735919(17)29(2627)2320)14101215(131114)2821(25)16624818(16)22h213H1H3
MFCD01230551
ZINC000001436441
ZINC01436441
ZINC1436441
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