Vitas-M small molecule compound

3-(3-methylbenzyl)-4-[(4-nitrophenyl)amino]-4-oxobutanoic acid

Catalog ID
STL305008
SMILES OC(=O)CC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Cc1cccc(c1)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/c1-12-3-2-4-13(9-12)10-14(11-17(21)22)18(23)19-15-5-7-16(8-6-15)20(24)25/h2-9,14H,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKey
NMLKWPXBRGLZTB-UHFFFAOYSA-N
Synonyms
370855-69-9
3((3METHYLPHENYL)METHYL)4(4NITROANILINO)4OXOBUTANOICACID
3(3methylbenzyl)4((4nitrophenyl)amino)4oxobutanoicacid
370855699
CC1=CC(=CC=C1)CC(CC(=O)O)C(=O)NC2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC18H18N2O5c11232413(912)1014(1117(21)22)18(23)19155716(8615)20(24)25h2914H1011H21H3(H1923)(H2122)
MFCD03000025
OC(=O)CC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Cc1cccc(c1)C
ZINC000004860569
ZINC000004860571

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Available files

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