Vitas-M small molecule compound
(2E)-3-(3-chlorophenyl)-1-[4-(1,1-dioxido-1,2-benzothiazol-3-yl)piperazin-1-yl]prop-2-en-1-one
Catalog ID
STL287659
SMILES Clc1cccc(c1)/C=C/C(=O)N1CCN(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 C20H18ClN3O3S MW 415.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O3S/c21-16-5-3-4-15(14-16)8-9-19(25)23-10-12-24(13-11-23)20-17-6-1-2-7-18(17)28(26,27)22-20/h1-9,14H,10-13H2/b9-8+InChIKey
BAQIDYQKRXTTOI-CMDGGOBGSA-NSynonyms
(2E)3(3chlorophenyl)1(4(11dioxido12benzothiazol3yl)piperazin1yl)prop2en1one
(E)3(3CHLOROPHENYL)1(4(11DIOXO12BENZOTHIAZOL3YL)PIPERAZIN1YL)PROP2EN1ONE
C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)C=CC4=CC(=CC=C4)Cl
Clc1cccc(c1)C=CC(=O)N1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2
InChI=1SC20H18ClN3O3Sc211653415(1416)8919(25)23101224(131123)2017612718(17)28(2627)2220h1914H1013H2b98+
MFCD15093292
ZINC000003583363
ZINC3583363
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