Vitas-M small molecule compound
2-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl 3-bromobenzoate
Catalog ID
STK180045
SMILES Brc1cccc(c1)C(=O)OCCN1CCN(CC1)C1=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 C20H20BrN3O4S MW 478.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O4S/c21-16-5-3-4-15(14-16)20(25)28-13-12-23-8-10-24(11-9-23)19-17-6-1-2-7-18(17)29(26,27)22-19/h1-7,14H,8-13H2InChIKey
KONJRUPAPXXDLL-UHFFFAOYSA-NSynonyms
2(4(11DIOXIDO12BENZOTHIAZOL3YL)PIPERAZIN1YL)ETHYL3BROMOBENZOATE
2(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)ETHYL3BROMOBENZOATE
C1CN(CCN1CCOC(=O)C2=CC(=CC=C2)Br)C3=NS(=O)(=O)C4=CC=CC=C43
InChI=1SC20H20BrN3O4Sc211653415(1416)20(25)2813122381024(11923)1917612718(17)29(2627)2219h1714H813H2
MFCD03714331
ZINC000019868984
ZINC19868984
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