Vitas-M small molecule compound
(2E)-4-{[3-(ethoxycarbonyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK433286
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCC(C2)C(CC)(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 C20H27NO5S MW 393.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO5S/c1-5-20(3,4)12-7-8-13-14(11-12)27-18(17(13)19(25)26-6-2)21-15(22)9-10-16(23)24/h9-10,12H,5-8,11H2,1-4H3,(H,21,22)(H,23,24)/b10-9+InChIKey
MQMHTCJUVXVTBQ-MDZDMXLPSA-NSynonyms
(2E)4((3(ethoxycarbonyl)6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((3ethoxycarbonyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCC(C2)C(CC)(C)C
InChI=1SC20H27NO5Sc1520(34)12781314(1112)2718(17(13)19(25)2662)2115(22)91016(23)24h91012H5811H214H3(H2122)(H2324)b109+
MFCD02853746
ZINC000002767202
ZINC000002767203
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