Vitas-M small molecule compound
4-(7-tert-butyl-2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid
Catalog ID
STK693634
SMILES O=C1Nc2sc3c(c2C(C1)c1ccc(cc1)C(=O)O)CCC(C3)C(C)(C)C
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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 C22H25NO3S MW 383.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO3S/c1-22(2,3)14-8-9-15-17(10-14)27-20-19(15)16(11-18(24)23-20)12-4-6-13(7-5-12)21(25)26/h4-7,14,16H,8-11H2,1-3H3,(H,23,24)(H,25,26)InChIKey
TUFXWLVRQXFKOB-UHFFFAOYSA-NSynonyms
4(7tertbutyl2oxo12345678octahydro(1)benzothieno(23b)pyridin4yl)benzoicacid
4(7tertbutyl2oxo345678hexahydro1H(1)benzothiolo(23b)pyridin4yl)benzoicacid
CC(C)(C)C1CCC2=C(C1)SC3=C2C(CC(=O)N3)C4=CC=C(C=C4)C(=O)O
InChI=1SC22H25NO3Sc122(23)14891517(1014)272019(15)16(1118(24)2320)124613(7512)21(25)26h471416H811H213H3(H2324)(H2526)
MFCD12033729
ZINC000015107615
ZINC000015107624
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