Vitas-M small molecule compound
ethyl N-{(2E)-3-(4-bromophenyl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}threoninate
Catalog ID
STL297521
SMILES CCOC(=O)C(C(O)C)NC(=O)/C(=C\c1ccc(cc1)Br)/NC(=O)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 C22H23BrN2O5 MW 475.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN2O5/c1-3-30-22(29)19(14(2)26)25-21(28)18(13-15-9-11-17(23)12-10-15)24-20(27)16-7-5-4-6-8-16/h4-14,19,26H,3H2,1-2H3,(H,24,27)(H,25,28)/b18-13+InChIKey
SYOXGLFPQKTXAY-QGOAFFKASA-NSynonyms
(E)ethyl2(2benzamido3(4bromophenyl)acrylamido)3hydroxybutanoate
CCOC(=O)C(C(C)O)NC(=O)C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2
CCOC(=O)C(C(O)C)NC(=O)C(=Cc1ccc(cc1)Br)NC(=O)c1ccccc1
ETHYL2(((E)2BENZAMIDO3(4BROMOPHENYL)PROP2ENOYL)AMINO)3HYDROXYBUTANOATE
ethylN((2E)3(4bromophenyl)2((phenylcarbonyl)amino)prop2enoyl)threoninate
InChI=1SC22H23BrN2O5c133022(29)19(14(2)26)2521(28)18(131591117(23)121015)2420(27)167546816h4141926H3H212H3(H2427)(H2528)b1813+
MFCD01046805
ZINC000008934205
ZINC000013739081
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