Vitas-M small molecule compound

2-hydroxy-3-[1-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-4-(methylsulfanyl)-1-oxobutan-2-yl]quinazolin-4(3H)-one

Catalog ID
STL566549
SMILES CSCCC(n1c(O)nc2c(c1=O)cccc2)C(=O)N1CCC2(C(C1)CCCC2)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 C22H29N3O4S MW 431.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O4S/c1-30-13-9-18(25-19(26)16-7-2-3-8-17(16)23-21(25)28)20(27)24-12-11-22(29)10-5-4-6-15(22)14-24/h2-3,7-8,15,18,29H,4-6,9-14H2,1H3,(H,23,28)
InChIKey
XWKIEHVJDKOHKX-UHFFFAOYSA-N
Synonyms

132285841
2hydroxy3(1(4ahydroxyoctahydroisoquinolin2(1H)yl)4(methylsulfanyl)1oxobutan2yl)quinazolin4(3H)one
3(1(4ahydroxy13456788aoctahydroisoquinolin2yl)4methylsulfanyl1oxobutan2yl)1Hquinazoline24dione
InChI=1SC22H29N3O4Sc13013918(2519(26)16723817(16)2321(25)28)20(27)24121122(29)1054615(22)1424h2378151829H46914H21H3(H2328)
MFCD32652045
ZINC000888088924
ZINC000888088927

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Available files

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