Vitas-M small molecule compound
butyl 4-{[(2E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino}benzoate
Catalog ID
STK949899
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)/C(=C/c1cc(Br)ccc1O)/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 C21H19BrN2O4 MW 443.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O4/c1-2-3-10-28-21(27)14-4-7-18(8-5-14)24-20(26)16(13-23)11-15-12-17(22)6-9-19(15)25/h4-9,11-12,25H,2-3,10H2,1H3,(H,24,26)/b16-11+InChIKey
RGQAKSDUEFPZQW-LFIBNONCSA-NSynonyms
butyl4(((2E)3(5bromo2hydroxyphenyl)2cyanoprop2enoyl)amino)benzoate
BUTYL4(((E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYL)AMINO)BENZOATE
BUTYL4((2E)3(5BROMO2HYDROXYPHENYL)2CYANOPROP2ENOYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=C(C=CC(=C2)Br)O)C#N
CCCCOC(=O)c1ccc(cc1)NC(=O)C(=Cc1cc(Br)ccc1O)C#N
InChI=1SC21H19BrN2O4c123102821(27)144718(8514)2420(26)16(1323)11151217(22)6919(15)25h49111225H2310H21H3(H2426)b1611+
MFCD02957223
ZINC000002670413
ZINC02670413
ZINC2670413
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