Vitas-M small molecule compound
ethyl 2-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK949908
SMILES CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(c(c1)Br)OC)/C#N
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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 C20H17BrN2O4 MW 429.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN2O4/c1-3-27-20(25)15-6-4-5-7-17(15)23-19(24)14(12-22)10-13-8-9-18(26-2)16(21)11-13/h4-11H,3H2,1-2H3,(H,23,24)/b14-10+InChIKey
LKJKQUBWHKJYKO-GXDHUFHOSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)C(=CC2=CC(=C(C=C2)OC)Br)C#N
CCOC(=O)c1ccccc1NC(=O)C(=Cc1ccc(c(c1)Br)OC)C#N
ethyl2(((2E)3(3bromo4methoxyphenyl)2cyanoprop2enoyl)amino)benzoate
ETHYL2(((E)3(3BROMO4METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
ETHYL2((2E)3(3BROMO4METHOXYPHENYL)2CYANOPROP2ENOYLAMINO)BENZOATE
InChI=1SC20H17BrN2O4c132720(25)15645717(15)2319(24)14(1222)10138918(262)16(21)1113h411H3H212H3(H2324)b1410+
MFCD02957278
ZINC000001453947
ZINC01453947
ZINC1453947
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