Vitas-M small molecule compound
3-(5-{(1E)-2-cyano-3-oxo-3-[(tetrahydrofuran-2-ylmethyl)amino]prop-1-en-1-yl}furan-2-yl)-2-methylbenzoic acid
Catalog ID
STK083236
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1C)C(=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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-13-17(5-2-6-18(13)21(25)26)19-8-7-15(28-19)10-14(11-22)20(24)23-12-16-4-3-9-27-16/h2,5-8,10,16H,3-4,9,12H2,1H3,(H,23,24)(H,25,26)/b14-10+InChIKey
ZIZWNQWRPOEOSQ-GXDHUFHOSA-NSynonyms
3(5((1E)2CYANO2(N(OXOLAN2YLMETHYL)CARBAMOYL)VINYL)(2FURYL))2METHYLBENZOICACID
3(5((1E)2CYANO3OXO3((TETRAHYDROFURAN2YLMETHYL)AMINO)PROP1EN1YL)FURAN2YL)2METHYLBENZOICACID
3(5((E)2CYANO3OXO3(OXOLAN2YLMETHYLAMINO)PROP1ENYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=CC=C1C(=O)O)C2=CC=C(O2)C=C(C#N)C(=O)NCC3CCCO3
InChI=1SC21H20N2O5c11317(52618(13)21(25)26)198715(2819)1014(1122)20(24)2312164392716h2581016H34912H21H3(H2324)(H2526)b1410+
MFCD03181777
N#CC(=Cc1ccc(o1)c1cccc(c1C)C(=O)O)C(=O)NCC1CCCO1
STK083236
ZINC000002795035
ZINC000002795037
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