Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoate

Catalog ID
STK389261
SMILES O=C(c1ccc(cc1)n1c(C)ccc1C)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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-14-6-7-15(2)22(14)18-10-8-16(9-11-18)21(25)28-13-20(24)17-4-3-5-19(12-17)23(26)27/h3-12H,13H2,1-2H3
InChIKey
KRDAJFRGPQRZLS-UHFFFAOYSA-N
Synonyms
328555-27-7
(2(3NITROPHENYL)2OXOETHYL)4(25DIMETHYLPYRROL1YL)BENZOATE
2(3nitrophenyl)2oxoethyl4(25dimethyl1Hpyrrol1yl)benzoate
2(3NITROPHENYL)2OXOETHYL4(25DIMETHYLPYRROLYL)BENZOATE
328555277
CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O))C
InChI=1SC21H18N2O5c1146715(2)22(14)1810816(91118)21(25)281320(24)1743519(1217)23(26)27h312H13H212H3
MFCD01360286
O=C(c1ccc(cc1)n1c(C)ccc1C)OCC(=O)c1cccc(c1)(N+)(=O)(O)
ZINC000001099794
ZINC01099794
ZINC1099794

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Available files

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