Vitas-M small molecule compound

4-(1,3-benzodioxol-5-yl)-7-methyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-b]pyridin-2(1H)-one

Catalog ID
STK692914
SMILES CC1CCc2c(C1)sc1c2C(CC(=O)N1)c1ccc2c(c1)OCO2

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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 C19H19NO3S MW 341.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO3S/c1-10-2-4-12-16(6-10)24-19-18(12)13(8-17(21)20-19)11-3-5-14-15(7-11)23-9-22-14/h3,5,7,10,13H,2,4,6,8-9H2,1H3,(H,20,21)
InChIKey
UJBJCNMGWPCYBR-UHFFFAOYSA-N
Synonyms

4(13benzodioxol5yl)7methyl345678hexahydro(1)benzothieno(23b)pyridin2(1H)one
4(13benzodioxol5yl)7methyl345678hexahydro1H(1)benzothiolo(23b)pyridin2one
CC1CCC2=C(C1)SC3=C2C(CC(=O)N3)C4=CC5=C(C=C4)OCO5
InChI=1SC19H19NO3Sc110241216(610)241918(12)13(817(21)2019)11351415(711)2392214h3571013H24689H21H3(H2021)
MFCD10038939
ZINC000015085207
ZINC000015085212

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.