Vitas-M small molecule compound

methyl 3-{[4-(butan-2-yl)phenyl]carbamoyl}-5-nitrobenzoate

Catalog ID
STK096776
SMILES CCC(c1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)OC)[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 C19H20N2O5 MW 356.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O5/c1-4-12(2)13-5-7-16(8-6-13)20-18(22)14-9-15(19(23)26-3)11-17(10-14)21(24)25/h5-12H,4H2,1-3H3,(H,20,22)
InChIKey
ZEQARQPRCXUWBU-UHFFFAOYSA-N
Synonyms
328284-52-2
328284522
CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
CCC(c1ccc(cc1)NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O))C
InChI=1SC19H20N2O5c1412(2)135716(8613)2018(22)14915(19(23)263)1117(1014)21(24)25h512H4H213H3(H2022)
METHYL3((4(BUTAN2YL)PHENYL)CARBAMOYL)5NITROBENZOATE
METHYL3((4BUTAN2YLPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4(METHYLPROPYL)PHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196923
STK096776
ZINC000001097974
ZINC000001097975

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.