Vitas-M small molecule compound

2-benzyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK045862
SMILES CC1CCc2c(C1)sc1c2c(=O)[nH]c(n1)Cc1ccccc1

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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 C18H18N2OS MW 310.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2OS/c1-11-7-8-13-14(9-11)22-18-16(13)17(21)19-15(20-18)10-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H,19,20,21)
InChIKey
RIXLNVPBPAISES-UHFFFAOYSA-N
Synonyms

2benzyl7methyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2benzyl7methyl5678tetrahydro3H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(=N3)CC4=CC=CC=C4
CC1CCc2c(C1)sc1c2c(=O)(nH)c(n1)Cc1ccccc1
InChI=1SC18H18N2OSc111781314(911)221816(13)17(21)1915(2018)10125324612h2611H710H21H3(H192021)
MFCD00782901
STK045862
ZINC000000316060
ZINC000000316061

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Available files

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