Vitas-M small molecule compound

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

Catalog ID
STK088985
SMILES Cc1ccc(cc1)n1c(SCc2cccc(c2)F)nc2c(c1=O)c1CCCCc1s2

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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 C24H21FN2OS2 MW 436.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21FN2OS2/c1-15-9-11-18(12-10-15)27-23(28)21-19-7-2-3-8-20(19)30-22(21)26-24(27)29-14-16-5-4-6-17(25)13-16/h4-6,9-13H,2-3,7-8,14H2,1H3
InChIKey
YWISFPVBWVRQLE-UHFFFAOYSA-N
Synonyms
499104-55-1
2((3fluorobenzyl)sulfanyl)3(4methylphenyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2((3fluorobenzyl)thio)3(ptolyl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
2((3fluorophenyl)methylsulfanyl)3(4methylphenyl)5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
499104551
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC4=CC(=CC=C4)F)SC5=C3CCCC5
Cc1ccc(cc1)n1c(SCc2cccc(c2)F)nc2c(c1=O)c1CCCCc1s2
InChI=1SC24H21FN2OS2c11591118(121015)2723(28)2119723820(19)3022(21)2624(27)29141654617(25)1316h46913H237814H21H3
MFCD03224256
STK088985
ZINC000002373637
ZINC02373637
ZINC2373637

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Available files

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