Vitas-M small molecule compound

1-(4-methylphenyl)-1-oxopropan-2-yl 2-nitrobenzoate

Catalog ID
STK258458
SMILES Cc1ccc(cc1)C(=O)C(OC(=O)c1ccccc1[N+](=O)[O-])C

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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 C17H15NO5 MW 313.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15NO5/c1-11-7-9-13(10-8-11)16(19)12(2)23-17(20)14-5-3-4-6-15(14)18(21)22/h3-10,12H,1-2H3
InChIKey
WCXWRQHRYBYAMT-UHFFFAOYSA-N
Synonyms

(1(4METHYLPHENYL)1OXIDANYLIDENEPROPAN2YL)2NITROBENZOATE
(1(4METHYLPHENYL)1OXOPROPAN2YL)2NITROBENZOATE
1(4methylphenyl)1oxopropan2yl2nitrobenzoate
1METHYL2(4METHYLPHENYL)2OXOETHYL2NITROBENZOATE
2NITROBENZOICACID(1(4METHYLPHENYL)1OXOPROPAN2YL)ESTER
2NITROBENZOICACID(2KETO1METHYL2(PTOLYL)ETHYL)ESTER
CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2(N+)(=O)(O)
Cc1ccc(cc1)C(=O)C(OC(=O)c1ccccc1(N+)(=O)(O))C
InChI=1SC17H15NO5c1117913(10811)16(19)12(2)2317(20)14534615(14)18(21)22h31012H12H3
MFCD03182637
ZINC000000312993
ZINC000000312994

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Available files

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