Vitas-M small molecule compound
ethyl 4-({3-[(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanoyl}amino)benzoate
Catalog ID
STK854140
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCSc1nc2sc3c(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)14-8-10-15(11-9-14)24-18(27)12-13-31-23-25-20-19(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
JENIHKATEFDRFX-UHFFFAOYSA-NSynonyms
497082-07-2497082072
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2C
ethyl4((3((3methyl4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)propanoyl)amino)benzoate
ethyl4(3((3methyl4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)propanamido)benzoate
ethyl4(3((3methyl4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)propanoylamino)benzoate
InChI=1SC23H25N3O4S2c133022(29)1481015(11914)2418(27)12133123252019(21(28)26(23)2)16645717(16)3220h811H371213H212H3(H2427)
MFCD03687662
ZINC000001476215
ZINC01476215
ZINC1476215
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