Vitas-M small molecule compound
butyl 4-[(2,2,2-trichloro-1-{[(2E)-3-phenylprop-2-enoyl]amino}ethyl)amino]benzoate
Catalog ID
STK808967
SMILES CCCCOC(=O)c1ccc(cc1)NC(C(Cl)(Cl)Cl)NC(=O)/C=C/c1ccccc1
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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 C22H23Cl3N2O3 MW 469.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23Cl3N2O3/c1-2-3-15-30-20(29)17-10-12-18(13-11-17)26-21(22(23,24)25)27-19(28)14-9-16-7-5-4-6-8-16/h4-14,21,26H,2-3,15H2,1H3,(H,27,28)/b14-9+InChIKey
HHEHXAROPGEECG-NTEUORMPSA-NSynonyms
butyl4((222trichloro1(((2E)3phenylprop2enoyl)amino)ethyl)amino)benzoate
BUTYL4((222TRICHLORO1(((E)3PHENYLPROP2ENOYL)AMINO)ETHYL)AMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C=CC2=CC=CC=C2
CCCCOC(=O)c1ccc(cc1)NC(C(Cl)(Cl)Cl)NC(=O)C=Cc1ccccc1
InChI=1SC22H23Cl3N2O3c123153020(29)17101218(131117)2621(22(2324)25)2719(28)149167546816h4142126H2315H21H3(H2728)b149+
MFCD00648723
ZINC000002672660
ZINC000002672662
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