Vitas-M small molecule compound
methyl (2-bromo-4-{(1E)-2-cyano-3-[(2-methylcyclohexyl)amino]-3-oxoprop-1-en-1-yl}phenoxy)acetate
Catalog ID
STK362380
SMILES N#C/C(=C\c1ccc(c(c1)Br)OCC(=O)OC)/C(=O)NC1CCCCC1C
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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 C20H23BrN2O4 MW 435.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN2O4/c1-13-5-3-4-6-17(13)23-20(25)15(11-22)9-14-7-8-18(16(21)10-14)27-12-19(24)26-2/h7-10,13,17H,3-6,12H2,1-2H3,(H,23,25)/b15-9+InChIKey
JMBCIVZNCXRQEW-OQLLNIDSSA-NSynonyms
CC1CCCCC1NC(=O)C(=CC2=CC(=C(C=C2)OCC(=O)OC)Br)C#N
InChI=1SC20H23BrN2O4c113534617(13)2320(25)15(1122)9147818(16(21)1014)271219(24)262h7101317H3612H212H3(H2325)b159+
METHYL(2BROMO4((1E)2CYANO3((2METHYLCYCLOHEXYL)AMINO)3OXOPROP1EN1YL)PHENOXY)ACETATE
METHYL2(2BROMO4((E)2CYANO3((2METHYLCYCLOHEXYL)AMINO)3OXOPROP1ENYL)PHENOXY)ACETATE
MFCD11852872
N#CC(=Cc1ccc(c(c1)Br)OCC(=O)OC)C(=O)NC1CCCCC1C
ZINC000023382584
ZINC000023382592
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