Vitas-M small molecule compound
methyl 4-({[(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL354847
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2sc3c(c2c(=O)n1CC)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 C22H23N3O4S2 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S2/c1-3-25-20(27)18-15-6-4-5-7-16(15)31-19(18)24-22(25)30-12-17(26)23-14-10-8-13(9-11-14)21(28)29-2/h8-11H,3-7,12H2,1-2H3,(H,23,26)InChIKey
ASKPVJCNRGLOJW-UHFFFAOYSA-NSynonyms
618879-63-3618879633
CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC)SC4=C2CCCC4
InChI=1SC22H23N3O4S2c132520(27)1815645716(15)3119(18)2422(25)301217(26)231410813(91114)21(28)292h811H3712H212H3(H2326)
methyl4((((3ethyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((3ethyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4(2((3ethyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)benzoate
MFCD02588802
ZINC000002403471
ZINC02403471
ZINC2403471
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