Vitas-M small molecule compound
5-{5-[(1E)-2-cyano-3-(cyclohexylamino)-3-oxoprop-1-en-1-yl]furan-2-yl}-2-methylbenzoic acid
Catalog ID
STK108395
SMILES N#C/C(=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)C)/C(=O)NC1CCCCC1
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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 C22H22N2O4 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O4/c1-14-7-8-15(12-19(14)22(26)27)20-10-9-18(28-20)11-16(13-23)21(25)24-17-5-3-2-4-6-17/h7-12,17H,2-6H2,1H3,(H,24,25)(H,26,27)/b16-11+InChIKey
CQCDBMRIYDCZDU-LFIBNONCSA-NSynonyms
5(5((1E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1EN1YL)FURAN2YL)2METHYLBENZOICACID
5(5((E)2CYANO3(CYCLOHEXYLAMINO)3OXOPROP1ENYL)FURAN2YL)2METHYLBENZOICACID
CC1=C(C=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3CCCCC3)C(=O)O
InChI=1SC22H22N2O4c1147815(1219(14)22(26)27)2010918(2820)1116(1323)21(25)24175324617h71217H26H21H3(H2425)(H2627)b1611+
MFCD03062543
N#CC(=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)C)C(=O)NC1CCCCC1
ZINC000004680349
ZINC4680349
Check stock
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