Vitas-M small molecule compound
3-benzyl-7-tert-butyl-2-(heptylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Catalog ID
STK722331
SMILES CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC(C3)C(C)(C)C
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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 C28H38N2OS2 MW 482.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2OS2/c1-5-6-7-8-12-17-32-27-29-25-24(26(31)30(27)19-20-13-10-9-11-14-20)22-16-15-21(28(2,3)4)18-23(22)33-25/h9-11,13-14,21H,5-8,12,15-19H2,1-4H3InChIKey
UWBUAXULKYPREU-UHFFFAOYSA-NSynonyms
351338-39-1351338391
3benzyl7(tertbutyl)2(heptylthio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
3benzyl7tertbutyl2(heptylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3benzyl7tertbutyl2heptylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCCCCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1CC4=CC=CC=C4
InChI=1SC28H38N2OS2c1567812173227292524(26(31)30(27)192013109111420)22161521(28(23)4)1823(22)3325h911131421H58121519H214H3
MFCD01877467
ZINC000002183457
ZINC000002183458
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