Vitas-M small molecule compound
3-benzyl-2-[(3,4-dichlorobenzyl)sulfanyl]-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STL325780
SMILES Clc1ccc(cc1Cl)CSc1nc2sc3c(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 C25H22Cl2N2OS2 MW 501.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl2N2OS2/c26-19-12-11-17(13-20(19)27)15-31-25-28-23-22(18-9-5-2-6-10-21(18)32-23)24(30)29(25)14-16-7-3-1-4-8-16/h1,3-4,7-8,11-13H,2,5-6,9-10,14-15H2InChIKey
MLZSSMTYIDLBAX-UHFFFAOYSA-NSynonyms
372083-83-5372083835
3benzyl2((34dichlorobenzyl)sulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3benzyl2((34dichlorobenzyl)thio)6789tetrahydro3Hcyclohepta(45)thieno(23d)pyrimidin4(5H)one
3benzyl2((34dichlorophenyl)methylsulfanyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=N3)SCC4=CC(=C(C=C4)Cl)Cl)CC5=CC=CC=C5
InChI=1SC25H22Cl2N2OS2c2619121117(1320(19)27)153125282322(1895261021(18)3223)24(30)29(25)14167314816h134781113H2569101415H2
MFCD01876333
ZINC000002271714
ZINC02271714
ZINC2271714
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