Vitas-M small molecule compound
2-bromo-6-methoxy-4-(piperidin-1-ylcarbonothioyl)phenyl 4-methylbenzenesulfonate
Catalog ID
STL382906
SMILES COc1cc(cc(c1OS(=O)(=O)c1ccc(cc1)C)Br)C(=S)N1CCCCC1
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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 C20H22BrNO4S2 MW 484.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22BrNO4S2/c1-14-6-8-16(9-7-14)28(23,24)26-19-17(21)12-15(13-18(19)25-2)20(27)22-10-4-3-5-11-22/h6-9,12-13H,3-5,10-11H2,1-2H3InChIKey
VLHXJHWUNHBXBD-UHFFFAOYSA-NSynonyms
(2BROMO6METHOXY4(PIPERIDINE1CARBOTHIOYL)PHENYL)4METHYLBENZENESULFONATE
2bromo6methoxy4(piperidin1ylcarbonothioyl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCCCC3)OC
InChI=1SC20H22BrNO4S2c1146816(9714)28(2324)261917(21)1215(1318(19)252)20(27)22104351122h691213H351011H212H3
MFCD01819588
ZINC000003669453
ZINC3669453
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