Vitas-M small molecule compound

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

Catalog ID
STK268253
SMILES O=C(OCC(=O)c1cccc(c1)[N+](=O)[O-])CCC(=O)Nc1cccc(c1)C(=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(17-4-2-8-21(13-17)29(36)37)15-40-26(34)11-10-25(33)28-20-7-1-6-19(12-20)27(35)41-16-24(32)18-5-3-9-22(14-18)30(38)39/h1-9,12-14H,10-11,15-16H2,(H,28,33)
InChIKey
RUTYIHJBTQCEPJ-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)3((4(2(3NITROPHENYL)2OXOETHOXY)4OXOBUTANOYL)AMINO)BENZOATE
2(3nitrophenyl)2oxoethyl3((4(2(3nitrophenyl)2oxoethoxy)4oxobutanoyl)amino)benzoate
2(3NITROPHENYL)2OXOETHYL3(N(3((2(3NITROPHENYL)2OXOETHYL)OXYCARBONYL)PHENYL)CARBAMOYL)PROPANOATE
C1=CC(=CC(=C1)NC(=O)CCC(=O)OCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC27H21N3O11c3123(1742821(1317)29(36)37)154026(34)111025(33)282071619(1220)27(35)411624(32)1853922(1418)30(38)39h191214H10111516H2(H2833)
MFCD01068400
O=C(OCC(=O)c1cccc(c1)(N+)(=O)(O))CCC(=O)Nc1cccc(c1)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000004157092
ZINC04157092
ZINC4157092

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Available files

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