Vitas-M small molecule compound
2-[(diethylamino)methyl]-4-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]phenyl 2-bromobenzoate
Catalog ID
STK129700
SMILES CCN(Cc1cc(ccc1OC(=O)c1ccccc1Br)NC1=NS(=O)(=O)c2c1cccc2)CC
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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 C25H24BrN3O4S MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3O4S/c1-3-29(4-2)16-17-15-18(27-24-20-10-6-8-12-23(20)34(31,32)28-24)13-14-22(17)33-25(30)19-9-5-7-11-21(19)26/h5-15H,3-4,16H2,1-2H3,(H,27,28)InChIKey
YPQKBTWNYWWNEA-UHFFFAOYSA-NSynonyms
(2(DIETHYLAMINOMETHYL)4((11DIOXO12BENZOTHIAZOL3YL)AMINO)PHENYL)2BROMOBENZOATE
2((DIETHYLAMINO)METHYL)4((11DIOXIDO12BENZOTHIAZOL3YL)AMINO)PHENYL2BROMOBENZOATE
CCN(CC)CC1=C(C=CC(=C1)NC2=NS(=O)(=O)C3=CC=CC=C32)OC(=O)C4=CC=CC=C4Br
InChI=1SC25H24BrN3O4Sc1329(42)16171518(27242010681223(20)34(3132)2824)131422(17)3325(30)199571121(19)26h515H3416H212H3(H2728)
MFCD01819582
ZINC5987686
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