Vitas-M small molecule compound

4-[(1,1-dioxido-1,2-benzothiazol-3-yl)(4-methoxybenzyl)amino]phenyl 3-bromobenzoate

Catalog ID
STK181094
SMILES COc1ccc(cc1)CN(C1=NS(=O)(=O)c2c1cccc2)c1ccc(cc1)OC(=O)c1cccc(c1)Br

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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 C28H21BrN2O5S MW 577.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21BrN2O5S/c1-35-23-13-9-19(10-14-23)18-31(27-25-7-2-3-8-26(25)37(33,34)30-27)22-11-15-24(16-12-22)36-28(32)20-5-4-6-21(29)17-20/h2-17H,18H2,1H3
InChIKey
VLCAQDDIACKHSP-UHFFFAOYSA-N
Synonyms

(4((11DIOXO12BENZOTHIAZOL3YL)((4METHOXYPHENYL)METHYL)AMINO)PHENYL)3BROMOBENZOATE
4((11DIOXIDO12BENZISOTHIAZOL3YL)(4METHOXYBENZYL)AMINO)PHENYL3BROMOBENZOATE
4((11DIOXIDO12BENZOTHIAZOL3YL)(4METHOXYBENZYL)AMINO)PHENYL3BROMOBENZOATE
COC1=CC=C(C=C1)CN(C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)C4=NS(=O)(=O)C5=CC=CC=C54
InChI=1SC28H21BrN2O5Sc1352313919(101423)1831(2725723826(25)37(3334)3027)22111524(161222)3628(32)2054621(29)1720h217H18H21H3
MFCD04090413
ZINC000008451859
ZINC08451859
ZINC8451859

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Available files

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