Vitas-M small molecule compound
ethyl 4-[({[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)methyl]benzoate
Catalog ID
STK844783
SMILES CCOC(=O)c1ccc(cc1)CNC(=O)CSc1nc2sc3c(c2c(=O)n1C)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 C23H25N3O4S2 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O4S2/c1-3-30-22(29)15-10-8-14(9-11-15)12-24-18(27)13-31-23-25-20-19(21(28)26(23)2)16-6-4-5-7-17(16)32-20/h8-11H,3-7,12-13H2,1-2H3,(H,24,27)InChIKey
DCKBJWHISNQOKC-UHFFFAOYSA-NSynonyms
501111-53-1501111531
CCOC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C
ethyl4(((((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4(((2((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetyl)amino)methyl)benzoate
ethyl4((2((3methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamido)methyl)benzoate
InChI=1SC23H25N3O4S2c133022(29)1510814(91115)122418(27)133123252019(21(28)26(23)2)16645717(16)3220h811H371213H212H3(H2427)
MFCD03620991
ZINC000001472266
ZINC01472266
ZINC1472266
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