Vitas-M small molecule compound

4-(benzylsulfanyl)-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

Catalog ID
STK285590
SMILES Cc1nc(SCc2ccccc2)c2c(n1)sc1c2CCCC1

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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 C18H18N2S2 MW 326.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2S2/c1-12-19-17(21-11-13-7-3-2-4-8-13)16-14-9-5-6-10-15(14)22-18(16)20-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey
JTRCTOOANXLDNK-UHFFFAOYSA-N
Synonyms
453584-26-4
4(benzylsulfanyl)2methyl5678tetrahydro(1)benzothieno(23d)pyrimidine
4(benzylthio)2methyl5678tetrahydrobenzo(45)thieno(23d)pyrimidine
453584264
4benzylsulfanyl2methyl5678tetrahydro(1)benzothiolo(23d)pyrimidine
CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC4=CC=CC=C4
InChI=1SC18H18N2S2c1121917(2111137324813)16149561015(14)2218(16)2012h2478H56911H21H3
MFCD02361347
ZINC000000552189
ZINC00552189
ZINC552189

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.