Vitas-M small molecule compound

2-(benzylsulfanyl)-3-butyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog ID
STK831070
SMILES CCCCn1c(SCc2ccccc2)nc2c(c1=O)c1CCCCCc1s2

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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 C22H26N2OS2 MW 398.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2OS2/c1-2-3-14-24-21(25)19-17-12-8-5-9-13-18(17)27-20(19)23-22(24)26-15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3
InChIKey
HAYNSWROIUQLJG-UHFFFAOYSA-N
Synonyms
351004-95-0
2(benzylsulfanyl)3butyl356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
2(benzylthio)3butyl6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
2benzylsulfanyl3butyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
351004950
CCCCN1C(=O)C2=C(N=C1SCC3=CC=CC=C3)SC4=C2CCCCC4
InChI=1SC22H26N2OS2c123142421(25)1917128591318(17)2720(19)2322(24)261516106471116h4671011H235891215H21H3
MFCD01949162
ZINC000002281926
ZINC02281926
ZINC2281926

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Available files

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