Vitas-M small molecule compound

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

Catalog ID
STK722382
SMILES CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3

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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 C21H24N2OS2 MW 384.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS2/c1-2-14-25-21-22-19-18(16-10-6-7-11-17(16)26-19)20(24)23(21)13-12-15-8-4-3-5-9-15/h3-5,8-9H,2,6-7,10-14H2,1H3
InChIKey
DNQQJGZLLHPLLV-UHFFFAOYSA-N
Synonyms
351161-87-0
3(2phenylethyl)2(propylsulfanyl)5678tetrahydro(1)benzothieno(23d)pyrimidin4(3H)one
3(2phenylethyl)2propylsulfanyl5678tetrahydro(1)benzothiolo(23d)pyrimidin4one
351161870
3phenethyl2(propylthio)5678tetrahydrobenzo(45)thieno(23d)pyrimidin4(3H)one
CCCSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCC4=CC=CC=C4
InChI=1SC21H24N2OS2c12142521221918(1610671117(16)2619)20(24)23(21)1312158435915h3589H2671014H21H3
MFCD01952407
ZINC000004438466
ZINC04438466
ZINC4438466

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Available files

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