Vitas-M small molecule compound

ethyl [(3-benzyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate

Catalog ID
STK096657
SMILES CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)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 C21H22N2O3S2 MW 414.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3S2/c1-2-26-17(24)13-27-21-22-19-18(15-10-6-7-11-16(15)28-19)20(25)23(21)12-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3
InChIKey
ZXHWHWZEKOTBFX-UHFFFAOYSA-N
Synonyms
59898-80-5
59898805
CCOC(=O)CSC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CC4=CC=CC=C4
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3
ethyl((3benzyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetate
ethyl2((3benzyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetate
ethyl2((3benzyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetate
InChI=1SC21H22N2O3S2c122617(24)132721221918(1510671116(15)2819)20(25)23(21)12148435914h3589H2671013H21H3
MFCD01455835
STK096657
ZINC000000805691
ZINC00805691
ZINC805691

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Available files

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