Vitas-M small molecule compound
ethyl 4-({4-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoyl}amino)benzoate
Catalog ID
STK550940
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCCSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCC3
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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 C28H27N3O4S2 MW 533.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O4S2/c1-2-35-27(34)18-13-15-19(16-14-18)29-23(32)12-7-17-36-28-30-25-24(21-10-6-11-22(21)37-25)26(33)31(28)20-8-4-3-5-9-20/h3-5,8-9,13-16H,2,6-7,10-12,17H2,1H3,(H,29,32)InChIKey
UWRJCLLRVLCNJQ-UHFFFAOYSA-NSynonyms
496028-90-1496028901
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC3=C(C4=C(S3)CCC4)C(=O)N2C5=CC=CC=C5
ethyl4((4((4oxo3phenyl3567tetrahydro4Hcyclopenta(45)thieno(23d)pyrimidin2yl)sulfanyl)butanoyl)amino)benzoate
ethyl4(4((1oxo2phenyl78dihydro6Hcyclopenta(23)thieno(24b)pyrimidin3yl)sulfanyl)butanoylamino)benzoate
ethyl4(4((4oxo3phenyl4567tetrahydro3Hcyclopenta(45)thieno(23d)pyrimidin2yl)thio)butanamido)benzoate
InChI=1SC28H27N3O4S2c123527(34)18131519(161418)2923(32)127173628302524(211061122(21)3725)26(33)31(28)208435920h35891316H267101217H21H3(H2932)
MFCD03650864
ZINC000001830002
ZINC01830002
ZINC1830002
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