Vitas-M small molecule compound

ethyl 4-[({[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)methyl]benzoate

Catalog ID
STL079679
SMILES CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nc(N)c2c(n1)sc1c2CCCC1

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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 C22H24N4O3S2 MW 456.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S2/c1-2-29-21(28)14-9-7-13(8-10-14)11-24-17(27)12-30-22-25-19(23)18-15-5-3-4-6-16(15)31-20(18)26-22/h7-10H,2-6,11-12H2,1H3,(H,24,27)(H2,23,25,26)
InChIKey
HLPYXKBSGJZWRS-UHFFFAOYSA-N
Synonyms
496028-85-4
496028854
CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC(=C3C4=C(CCCC4)SC3=N2)N
ethyl4(((((4amino5678tetrahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4(((2((4amino5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4((2((4amino5678tetrahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)methyl)benzoate
InChI=1SC22H24N4O3S2c122921(28)149713(81014)112417(27)1230222519(23)1815534616(15)3120(18)2622h710H261112H21H3(H2427)(H2232526)
MFCD03650851
ZINC000001805377
ZINC01805377
ZINC1805377

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Available files

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