Vitas-M small molecule compound
(2E)-4-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK430177
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCC(C2)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 C19H25NO5S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO5S/c1-5-25-18(24)16-12-7-6-11(19(2,3)4)10-13(12)26-17(16)20-14(21)8-9-15(22)23/h8-9,11H,5-7,10H2,1-4H3,(H,20,21)(H,22,23)/b9-8+InChIKey
SEOHGKRVDZVGKM-CMDGGOBGSA-NSynonyms
(2E)4((6tertbutyl3(ethoxycarbonyl)4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((6(tertbutyl)3(ethoxycarbonyl)4567tetrahydrobenzo(b)thiophen2yl)amino)4oxobut2enoicacid
(E)4((6tertbutyl3ethoxycarbonyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCC(C2)C(C)(C)C
InChI=1SC19H25NO5Sc152518(24)16127611(19(23)4)1013(12)2617(16)2014(21)8915(22)23h8911H5710H214H3(H2021)(H2223)b98+
MFCD01243896
ZINC000004811481
ZINC000004811482
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