Vitas-M small molecule compound
ethyl N-{4-[(4-bromophenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate
Catalog ID
STL299938
SMILES CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)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 C22H24BrN3O7 MW 522.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN3O7/c1-3-33-22(29)17(12-14-4-9-19(32-2)18(13-14)26(30)31)25-21(28)11-10-20(27)24-16-7-5-15(23)6-8-16/h4-9,13,17H,3,10-12H2,1-2H3,(H,24,27)(H,25,28)InChIKey
XLOHEVNCOBGYFV-UHFFFAOYSA-NSynonyms
1214117-43-71214117437
CCOC(=O)C(CC1=CC(=C(C=C1)OC)(N+)(=O)(O))NC(=O)CCC(=O)NC2=CC=C(C=C2)Br
CCOC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))OC)NC(=O)CCC(=O)Nc1ccc(cc1)Br
ETHYL2((4(4BROMOANILINO)4OXOBUTANOYL)AMINO)3(4METHOXY3NITROPHENYL)PROPANOATE
ETHYL2(3(N(4BROMOPHENYL)CARBAMOYL)PROPANOYLAMINO)3(4METHOXY3NITROPHENYL)PROPANOATE
ethyl2(4((4bromophenyl)amino)4oxobutanamido)3(4methoxy3nitrophenyl)propanoate
ethylN(4((4bromophenyl)amino)4oxobutanoyl)Omethyl3nitrotyrosinate
InChI=1SC22H24BrN3O7c133322(29)17(12144919(322)18(1314)26(30)31)2521(28)111020(27)24167515(23)6816h491317H31012H212H3(H2427)(H2528)
MFCD01030253
ZINC000006547581
ZINC000006547759
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