Vitas-M small molecule compound

1-oxo-1-phenylpropan-2-yl 4-({5-[2-(4-nitrophenyl)-2-oxoethoxy]-5-oxopentanoyl}amino)benzoate

Catalog ID
STK286624
SMILES CC(C(=O)c1ccccc1)OC(=O)c1ccc(cc1)NC(=O)CCCC(=O)OCC(=O)c1ccc(cc1)[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 C29H26N2O9 MW 546.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N2O9/c1-19(28(35)21-6-3-2-4-7-21)40-29(36)22-10-14-23(15-11-22)30-26(33)8-5-9-27(34)39-18-25(32)20-12-16-24(17-13-20)31(37)38/h2-4,6-7,10-17,19H,5,8-9,18H2,1H3,(H,30,33)
InChIKey
SCBLMMQPTCMCGO-UHFFFAOYSA-N
Synonyms

(1OXO1PHENYLPROPAN2YL)4((5(2(4NITROPHENYL)2OXOETHOXY)5OXOPENTANOYL)AMINO)BENZOATE
1oxo1phenylpropan2yl4((5(2(4nitrophenyl)2oxoethoxy)5oxopentanoyl)amino)benzoate
CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O)
CC(C(=O)c1ccccc1)OC(=O)c1ccc(cc1)NC(=O)CCCC(=O)OCC(=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC29H26N2O9c119(28(35)216324721)4029(36)22101423(151122)3026(33)85927(34)391825(32)20121624(171320)31(37)38h2467101719H58918H21H3(H3033)
MFCD03756852
ZINC000097947931
ZINC000097947932

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Available files

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