Vitas-M small molecule compound
(2E)-4-{[3-(ethoxycarbonyl)-4-(naphthalen-2-yl)thiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK334375
SMILES CCOC(=O)c1c(scc1c1ccc2c(c1)cccc2)NC(=O)/C=C/C(=O)O
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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 C21H17NO5S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO5S/c1-2-27-21(26)19-16(12-28-20(19)22-17(23)9-10-18(24)25)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3,(H,22,23)(H,24,25)/b10-9+InChIKey
MKLQIZLGAQOVHJ-MDZDMXLPSA-NSynonyms
(2E)3(N(3(ETHOXYCARBONYL)4(2NAPHTHYL)(2THIENYL))CARBAMOYL)PROP2ENOICACID
(2E)4((3(ethoxycarbonyl)4(naphthalen2yl)thiophen2yl)amino)4oxobut2enoicacid
(E)4((3ETHOXYCARBONYL4NAPHTHALEN2YLTHIOPHEN2YL)AMINO)4OXOBUT2ENOICACID
CCOC(=O)C1=C(SC=C1C2=CC3=CC=CC=C3C=C2)NC(=O)C=CC(=O)O
CCOC(=O)c1c(scc1c1ccc2c(c1)cccc2)NC(=O)C=CC(=O)O
InChI=1SC21H17NO5Sc122721(26)1916(122820(19)2217(23)91018(24)25)158713534614(13)1115h312H2H21H3(H2223)(H2425)b109+
MFCD02853493
ZINC000002767507
ZINC2767507
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