Vitas-M small molecule compound
2-ethoxy-4-[(4-hydroxypiperidin-1-yl)carbonothioyl]phenyl 4-methylbenzenesulfonate
Catalog ID
STK053717
SMILES CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(=S)N1CCC(CC1)O
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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 C21H25NO5S2 MW 435.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO5S2/c1-3-26-20-14-16(21(28)22-12-10-17(23)11-13-22)6-9-19(20)27-29(24,25)18-7-4-15(2)5-8-18/h4-9,14,17,23H,3,10-13H2,1-2H3InChIKey
YDSCNCMBRYRGBX-UHFFFAOYSA-NSynonyms
(2ETHOXY4(4HYDROXYPIPERIDINE1CARBOTHIOYL)PHENYL)4METHYLBENZENESULFONATE
2ETHOXY4((4HYDROXYPIPERIDIN1YL)CARBONOTHIOYL)PHENYL4METHYLBENZENESULFONATE
CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)O)OS(=O)(=O)C3=CC=C(C=C3)C
CCOc1cc(ccc1OS(=O)(=O)c1ccc(cc1)C)C(=S)N1CCC(CC1)O
InChI=1SC21H25NO5S2c1326201416(21(28)22121017(23)111322)6919(20)2729(2425)187415(2)5818h49141723H31013H212H3
MFCD08051225
STK053717
ZINC000009434916
ZINC09434916
ZINC9434916
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