Vitas-M small molecule compound

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(dimethylamino)benzoate

Catalog ID
STK388054
SMILES O=C(c1ccc(cc1)N(C)C)OCC(=O)c1ccc(c(c1)[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 C18H18N2O5 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5/c1-12-4-5-14(10-16(12)20(23)24)17(21)11-25-18(22)13-6-8-15(9-7-13)19(2)3/h4-10H,11H2,1-3H3
InChIKey
ZKXXWYIOSRJHFR-UHFFFAOYSA-N
Synonyms
355435-84-6
(2(4METHYL3NITROPHENYL)2OXOETHYL)4(DIMETHYLAMINO)BENZOATE
2(4METHYL3NITROPHENYL)2OXOETHYL4(DIMETHYLAMINO)BENZOATE
355435846
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N(C)C)(N+)(=O)(O)
InChI=1SC18H18N2O5c1124514(1016(12)20(23)24)17(21)112518(22)136815(9713)19(2)3h410H11H213H3
MFCD02314978
O=C(c1ccc(cc1)N(C)C)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
ZINC000000454464
ZINC00454464
ZINC454464

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Available files

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