Vitas-M small molecule compound
(4-{(1E)-2-cyano-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-1-yl}-2-ethoxyphenoxy)acetic acid
Catalog ID
STL363652
SMILES CCOc1cc(ccc1OCC(=O)O)/C=C(/C(=O)NCC1CCCO1)\C#N
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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 C19H22N2O6 MW 374.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O6/c1-2-25-17-9-13(5-6-16(17)27-12-18(22)23)8-14(10-20)19(24)21-11-15-4-3-7-26-15/h5-6,8-9,15H,2-4,7,11-12H2,1H3,(H,21,24)(H,22,23)/b14-8+InChIKey
HGJSKZGZENKXPI-RIYZIHGNSA-NSynonyms
347907-97-5(4((1E)2cyano3oxo3((tetrahydrofuran2ylmethyl)amino)prop1en1yl)2ethoxyphenoxy)aceticacid
(E)2(4(2cyano3oxo3(((tetrahydrofuran2yl)methyl)amino)prop1en1yl)2ethoxyphenoxy)aceticacid
2(4((1E)2CYANO2(N(OXOLAN2YLMETHYL)CARBAMOYL)VINYL)2ETHOXYPHENOXY)ACETICACID
2(4((E)2CYANO3OXO3(OXOLAN2YLMETHYLAMINO)PROP1ENYL)2ETHOXYPHENOXY)ACETICACID
347907975
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)OCC(=O)O
CCOc1cc(ccc1OCC(=O)O)C=C(C(=O)NCC1CCCO1)C#N
InChI=1SC19H22N2O6c122517913(5616(17)271218(22)23)814(1020)19(24)2111154372615h568915H2471112H21H3(H2124)(H2223)b148+
MFCD02223504
ZINC000002284039
ZINC000002284041
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