Vitas-M small molecule compound
4-(2-oxo-1,2,3,4,5,6,7,8-octahydro[1]benzothieno[2,3-b]pyridin-4-yl)benzoic acid
Catalog ID
STK693597
SMILES O=C1Nc2sc3c(c2C(C1)c1ccc(cc1)C(=O)O)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 C18H17NO3S MW 327.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO3S/c20-15-9-13(10-5-7-11(8-6-10)18(21)22)16-12-3-1-2-4-14(12)23-17(16)19-15/h5-8,13H,1-4,9H2,(H,19,20)(H,21,22)InChIKey
YTZPSRRECXHMIO-UHFFFAOYSA-NSynonyms
4(2oxo12345678octahydro(1)benzothieno(23b)pyridin4yl)benzoicacid
4(2oxo345678hexahydro1H(1)benzothiolo(23b)pyridin4yl)benzoicacid
C1CCC2=C(C1)C3=C(S2)NC(=O)CC3C4=CC=C(C=C4)C(=O)O
InChI=1SC18H17NO3Sc2015913(105711(8610)18(21)22)1612312414(12)2317(16)1915h5813H149H2(H1920)(H2122)
MFCD12033676
ZINC000015107362
ZINC000015107365
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