Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 2-({4-[2-(3-nitrophenyl)-2-oxoethoxy]-4-oxobutanoyl}amino)benzoate

Catalog ID
STK268247
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc(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 C27H21N3O11 MW 563.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O11/c31-23(17-5-3-7-19(13-17)29(36)37)15-40-26(34)12-11-25(33)28-22-10-2-1-9-21(22)27(35)41-16-24(32)18-6-4-8-20(14-18)30(38)39/h1-10,13-14H,11-12,15-16H2,(H,28,33)
InChIKey
ACWQOAGEYFAYOY-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)2((4(2(3NITROPHENYL)2OXOETHOXY)4OXOBUTANOYL)AMINO)BENZOATE
2(3nitrophenyl)2oxoethyl2((4(2(3nitrophenyl)2oxoethoxy)4oxobutanoyl)amino)benzoate
2(3NITROPHENYL)2OXOETHYL3(N(2((2(3NITROPHENYL)2OXOETHYL)OXYCARBONYL)PHENYL)CARBAMOYL)PROPANOATE
C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)CCC(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC27H21N3O11c3123(1753719(1317)29(36)37)154026(34)121125(33)28221021921(22)27(35)411624(32)1864820(1418)30(38)39h1101314H11121516H2(H2833)
MFCD01068382
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000004157071
ZINC04157071
ZINC4157071

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Available files

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