Vitas-M small molecule compound
ethyl (betaS)-N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-beta-hydroxy-D-phenylalaninate
Catalog ID
STL566364
SMILES CCOC(=O)[C@@H]([C@H](c1ccccc1)O)NC(=O)CCC(=O)Nc1ccc(cc1)Br
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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 C21H23BrN2O5 MW 463.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O5/c1-2-29-21(28)19(20(27)14-6-4-3-5-7-14)24-18(26)13-12-17(25)23-16-10-8-15(22)9-11-16/h3-11,19-20,27H,2,12-13H2,1H3,(H,23,25)(H,24,26)/t19-,20+/m1/s1InChIKey
UMJJJTWEYFSLEN-UXHICEINSA-NSynonyms
481701-97-7(2R3S)ethyl2(4((4bromophenyl)amino)4oxobutanamido)3hydroxy3phenylpropanoate
1760388
481701977
CCOC(=O)(C@@H)((C@H)(c1ccccc1)O)NC(=O)CCC(=O)Nc1ccc(cc1)Br
ethyl(2R3S)2((4(4bromoanilino)4oxobutanoyl)amino)3hydroxy3phenylpropanoate
ethyl(betaS)N(4((4bromophenyl)amino)4oxobutanoyl)betahydroxyDphenylalaninate
InChI=1SC21H23BrN2O5c122921(28)19(20(27)146435714)2418(26)131217(25)231610815(22)91116h311192027H21213H21H3(H2325)(H2426)t1920+m1s1
MFCD32651890
ZINC000002105388
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