Vitas-M small molecule compound

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

Catalog ID
STK722339
SMILES CCCCSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)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 C25H32N2OS2 MW 440.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2OS2/c1-6-7-14-29-24-26-22-21(23(28)27(24)18-11-8-16(2)9-12-18)19-13-10-17(25(3,4)5)15-20(19)30-22/h8-9,11-12,17H,6-7,10,13-15H2,1-5H3
InChIKey
YJPNURDNYGQFMO-UHFFFAOYSA-N
Synonyms
351160-48-0
351160480
7(tertbutyl)2(butylthio)3(ptolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
7tertbutyl2(butylsulfanyl)3(4methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
7tertbutyl2butylsulfanyl3(4methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
CCCCSC1=NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N1C4=CC=C(C=C4)C
InChI=1SC25H32N2OS2c167142924262221(23(28)27(24)1811816(2)91218)19131017(25(34)5)1520(19)3022h89111217H67101315H215H3
MFCD01876763
ZINC000002272050
ZINC000002272051

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Available files

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