Vitas-M small molecule compound

propyl 2-(morpholin-4-yl)-5-{[(2-nitrophenyl)carbonyl]amino}benzoate

Catalog ID
STK219902
SMILES CCCOC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccccc1[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 C21H23N3O6 MW 413.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O6/c1-2-11-30-21(26)17-14-15(7-8-18(17)23-9-12-29-13-10-23)22-20(25)16-5-3-4-6-19(16)24(27)28/h3-8,14H,2,9-13H2,1H3,(H,22,25)
InChIKey
ARFCXQZGVBQOSA-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2(N+)(=O)(O))N3CCOCC3
CCCOC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC21H23N3O6c12113021(26)171415(7818(17)2391229131023)2220(25)16534619(16)24(27)28h3814H2913H21H3(H2225)
MFCD06665391
PROPYL2(MORPHOLIN4YL)5(((2NITROPHENYL)CARBONYL)AMINO)BENZOATE
PROPYL2MORPHOLIN4YL5((2NITROBENZOYL)AMINO)BENZOATE
ZINC000004749052
ZINC04749052
ZINC4749052

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Available files

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