Vitas-M small molecule compound

ethyl O-methyl-3-nitro-N-{4-[(3-nitrophenyl)amino]-4-oxobutanoyl}tyrosinate

Catalog ID
STL320686
SMILES CCOC(=O)C(Cc1ccc(c(c1)[N+](=O)[O-])OC)NC(=O)CCC(=O)Nc1cccc(c1)[N+](=O)[O-]

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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 C22H24N4O9 MW 488.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O9/c1-3-35-22(29)17(11-14-7-8-19(34-2)18(12-14)26(32)33)24-21(28)10-9-20(27)23-15-5-4-6-16(13-15)25(30)31/h4-8,12-13,17H,3,9-11H2,1-2H3,(H,23,27)(H,24,28)
InChIKey
IWAKIFCVIHCLTG-UHFFFAOYSA-N
Synonyms
282108-52-5
282108525
CCOC(=O)C(CC1=CC(=C(C=C1)OC)(N+)(=O)(O))NC(=O)CCC(=O)NC2=CC(=CC=C2)(N+)(=O)(O)
CCOC(=O)C(Cc1ccc(c(c1)(N+)(=O)(O))OC)NC(=O)CCC(=O)Nc1cccc(c1)(N+)(=O)(O)
ETHYL3(4METHOXY3NITROPHENYL)2((4(3NITROANILINO)4OXOBUTANOYL)AMINO)PROPANOATE
ETHYL3(4METHOXY3NITROPHENYL)2(3(N(3NITROPHENYL)CARBAMOYL)PROPANOYLAMINO)PROPANOATE
ethyl3(4methoxy3nitrophenyl)2(4((3nitrophenyl)amino)4oxobutanamido)propanoate
ethylOmethyl3nitroN(4((3nitrophenyl)amino)4oxobutanoyl)tyrosinate
InChI=1SC22H24N4O9c133522(29)17(11147819(342)18(1214)26(32)33)2421(28)10920(27)231554616(1315)25(30)31h48121317H3911H212H3(H2327)(H2428)
MFCD01030256
ZINC000006547598
ZINC000006547777

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.