Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-7-tert-butyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one
Catalog ID
STK693494
SMILES O=C1Nc2sc3c(c2C(C1)c1ccc2c(c1)OCO2)CCC(C3)C(C)(C)C
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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 C22H25NO3S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3S/c1-22(2,3)13-5-6-14-18(9-13)27-21-20(14)15(10-19(24)23-21)12-4-7-16-17(8-12)26-11-25-16/h4,7-8,13,15H,5-6,9-11H2,1-3H3,(H,23,24)InChIKey
UBYQGQKUABVZBL-UHFFFAOYSA-NSynonyms
4(13benzodioxol5yl)7tertbutyl345678hexahydro(1)benzothieno(23b)pyridin2(1H)one
4(13benzodioxol5yl)7tertbutyl345678hexahydro1H(1)benzothiolo(23b)pyridin2one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(CC(=O)N3)C4=CC5=C(C=C4)OCO5
InChI=1SC22H25NO3Sc122(23)13561418(913)272120(14)15(1019(24)2321)12471617(812)26112516h4781315H56911H213H3(H2324)
MFCD10039505
ZINC000015106898
ZINC000015106907
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