Vitas-M small molecule compound
butyl 4-{[(2E)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK918897
SMILES CCCCOC(=O)c1ccc(cc1)NC(=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 C22H21BrN2O4 MW 457.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O4/c1-3-4-11-29-22(27)16-6-8-18(9-7-16)25-21(26)17(14-24)12-15-5-10-20(28-2)19(23)13-15/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26)/b17-12+InChIKey
NKXZQKQRQIZEGF-SFQUDFHCSA-NSynonyms
butyl4(((2E)3(3bromo4methoxyphenyl)2cyanoprop2enoyl)amino)benzoate
BUTYL4(((E)3(3BROMO4METHOXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)3(3BROMO4METHOXYPHENYL)2CYANOPROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC)Br)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1ccc(c(c1)Br)OC)C#N
InChI=1SC22H21BrN2O4c134112922(27)166818(9716)2521(26)17(1424)121551020(282)19(23)1315h5101213H3411H212H3(H2526)b1712+
MFCD02957280
ZINC000002670429
ZINC02670429
ZINC2670429
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