Vitas-M small molecule compound

2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Catalog ID
STK639394
SMILES CCn1c(nc2c(c1=O)c1CCCCc1s2)N1CCN(CC1)C(=O)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 C21H30N4O2S MW 402.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O2S/c1-5-25-18(26)16-14-8-6-7-9-15(14)28-17(16)22-20(25)24-12-10-23(11-13-24)19(27)21(2,3)4/h5-13H2,1-4H3
InChIKey
APYGOKWWVBFEDO-UHFFFAOYSA-N
Synonyms
1010887-88-3
2(4(22dimethylpropanoyl)piperazin1yl)3ethyl5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
2(4(22dimethylpropanoyl)piperazin1yl)3ethyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
3ethyl2(4pivaloylpiperazin1yl)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CCN1C(=O)C2=C(N=C1N3CCN(CC3)C(=O)C(C)(C)C)SC4=C2CCCC4
Registry IDs
MFCD12203365
ZINC000012406673
ZINC12406673

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Available files

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