Vitas-M small molecule compound
(2E)-4-{[6-benzyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STL019705
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCN(C2)Cc1ccccc1
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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 C21H22N2O5S MW 414.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O5S/c1-2-28-21(27)19-15-10-11-23(12-14-6-4-3-5-7-14)13-16(15)29-20(19)22-17(24)8-9-18(25)26/h3-9H,2,10-13H2,1H3,(H,22,24)(H,25,26)/b9-8+InChIKey
QUWAIYAGJNTNHP-CMDGGOBGSA-NSynonyms
(2E)4((6benzyl3(ethoxycarbonyl)4567tetrahydrothieno(23c)pyridin2yl)amino)4oxobut2enoicacid
(E)4((6benzyl3ethoxycarbonyl4567tetrahydrothieno(23c)pyridin6ium2yl)amino)4oxobut2enoate
(E)4((6BENZYL3ETHOXYCARBONYL57DIHYDRO4HTHIENO(23C)PYRIDIN2YL)AMINO)4OXOBUT2ENOICACID
CCOC(=O)C1=C(SC2=C1CC(NH+)(C2)CC3=CC=CC=C3)NC(=O)C=CC(=O)(O)
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCN(C2)Cc1ccccc1
InChI=1SC21H22N2O5Sc122821(27)1915101123(12146435714)1316(15)2920(19)2217(24)8918(25)26h39H21013H21H3(H2224)(H2526)b98+
MFCD02854860
ZINC000004143406
ZINC4143406
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