Vitas-M small molecule compound
1-(diethylamino)-3-[(1,1-dioxido-1,2-benzothiazol-3-yl)amino]propan-2-yl 2-bromobenzoate
Catalog ID
STL291064
SMILES CCN(CC(OC(=O)c1ccccc1Br)CNC1=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 C21H24BrN3O4S MW 494.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN3O4S/c1-3-25(4-2)14-15(29-21(26)16-9-5-7-11-18(16)22)13-23-20-17-10-6-8-12-19(17)30(27,28)24-20/h5-12,15H,3-4,13-14H2,1-2H3,(H,23,24)InChIKey
CCOCKZMDABCWEU-UHFFFAOYSA-NSynonyms
(1(DIETHYLAMINO)3((11DIOXO12BENZOTHIAZOL3YL)AMINO)PROPAN2YL)2BROMOBENZOATE
1(diethylamino)3((11dioxido12benzothiazol3yl)amino)propan2yl2bromobenzoate
CCN(CC)CC(CNC1=NS(=O)(=O)C2=CC=CC=C21)OC(=O)C3=CC=CC=C3Br
InChI=1SC21H24BrN3O4Sc1325(42)1415(2921(26)169571118(16)22)1323201710681219(17)30(2728)2420h51215H341314H212H3(H2324)
MFCD01304895
ZINC000022753088
ZINC000022753093
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