Vitas-M small molecule compound

2-(butylsulfanyl)-3-cyclohexyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK830545
SMILES CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3

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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 C20H28N2OS2 MW 376.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N2OS2/c1-2-3-13-24-20-21-18-17(15-11-7-8-12-16(15)25-18)19(23)22(20)14-9-5-4-6-10-14/h14H,2-13H2,1H3
InChIKey
SKWWKOPDZAXNKG-UHFFFAOYSA-N
Synonyms
331964-46-6
2(butylsulfanyl)3cyclohexyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(butylthio)3cyclohexyl5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2butylsulfanyl3cyclohexyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
331964466
CCCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4CCCCC4
InChI=1SC20H28N2OS2c123132420211817(1511781216(15)2518)19(23)22(20)1495461014h14H213H21H3
MFCD01448591
ZINC000002179060
ZINC02179060
ZINC2179060

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Available files

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