Vitas-M small molecule compound
(2E)-4-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobut-2-enoic acid
Catalog ID
STK400408
SMILES CCOC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCC(C2)CC
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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 C17H21NO5S MW 351.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO5S/c1-3-10-5-6-11-12(9-10)24-16(15(11)17(22)23-4-2)18-13(19)7-8-14(20)21/h7-8,10H,3-6,9H2,1-2H3,(H,18,19)(H,20,21)/b8-7+InChIKey
BVANYAXEJKJHFE-BQYQJAHWSA-NSynonyms
(2E)4((3(ethoxycarbonyl)6ethyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
(E)4((3ethoxycarbonyl6ethyl4567tetrahydro1benzothiophen2yl)amino)4oxobut2enoicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)C=CC(=O)O
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCC(C2)CC
InChI=1SC17H21NO5Sc1310561112(910)2416(15(11)17(22)2342)1813(19)7814(20)21h7810H369H212H3(H1819)(H2021)b87+
MFCD01358820
ZINC000002095924
ZINC000002095926
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