Vitas-M small molecule compound

(4-{(1E)-2-cyano-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-1-yl}-2-methoxyphenoxy)acetic acid

Catalog ID
STK182574
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCC(=O)O)/C(=O)NCC1CCCO1

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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 C18H20N2O6 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6/c1-24-16-8-12(4-5-15(16)26-11-17(21)22)7-13(9-19)18(23)20-10-14-3-2-6-25-14/h4-5,7-8,14H,2-3,6,10-11H2,1H3,(H,20,23)(H,21,22)/b13-7+
InChIKey
NKIQXRNAAANRFA-NTUHNPAUSA-N
Synonyms
340319-09-7
(4((1E)2CYANO3OXO3((TETRAHYDROFURAN2YLMETHYL)AMINO)PROP1EN1YL)2METHOXYPHENOXY)ACETICACID
(E)2(4(2cyano3oxo3(((tetrahydrofuran2yl)methyl)amino)prop1en1yl)2methoxyphenoxy)aceticacid
2(4((1E)2CYANO2(N(OXOLAN2YLMETHYL)CARBAMOYL)VINYL)2METHOXYPHENOXY)ACETICACID
2(4((E)2CYANO3OXO3(OXOLAN2YLMETHYLAMINO)PROP1ENYL)2METHOXYPHENOXY)ACETICACID
340319097
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)OCC(=O)O
InChI=1SC18H20N2O6c12416812(4515(16)261117(21)22)713(919)18(23)2010143262514h457814H2361011H21H3(H2023)(H2122)b137+
MFCD02052418
N#CC(=Cc1ccc(c(c1)OC)OCC(=O)O)C(=O)NCC1CCCO1
ZINC000002305109
ZINC000002305111

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Available files

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