Vitas-M small molecule compound
3-benzyl-2-(butylsulfanyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831082
SMILES CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3
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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/c1-2-3-14-26-22-23-20-19(17-12-8-5-9-13-18(17)27-20)21(25)24(22)15-16-10-6-4-7-11-16/h4,6-7,10-11H,2-3,5,8-9,12-15H2,1H3InChIKey
RAEHXUZBPYPWCA-UHFFFAOYSA-NSynonyms
351159-84-7351159847
3benzyl2(butylsulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3benzyl2(butylthio)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3benzyl2butylsulfanyl6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CCCCSC1=NC2=C(C3=C(S2)CCCCC3)C(=O)N1CC4=CC=CC=C4
InChI=1SC22H26N2OS2c123142622232019(17128591318(17)2720)21(25)24(22)1516106471116h4671011H235891215H21H3
MFCD01948851
ZINC000002271488
ZINC02271488
ZINC2271488
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