Vitas-M small molecule compound

N-{(1Z)-1-(2-fluorophenyl)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-2-yl}-4-methylbenzamide

Catalog ID
STK982961
SMILES COCCCNC(=O)/C(=C/c1ccccc1F)/NC(=O)c1ccc(cc1)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 C21H23FN2O3 MW 370.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23FN2O3/c1-15-8-10-16(11-9-15)20(25)24-19(21(26)23-12-5-13-27-2)14-17-6-3-4-7-18(17)22/h3-4,6-11,14H,5,12-13H2,1-2H3,(H,23,26)(H,24,25)/b19-14-
InChIKey
ZTVNGBSBECESHS-RGEXLXHISA-N
Synonyms

CC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2F)C(=O)NCCCOC
COCCCNC(=O)C(=Cc1ccccc1F)NC(=O)c1ccc(cc1)C
InChI=1SC21H23FN2O3c11581016(11915)20(25)2419(21(26)2312513272)1417634718(17)22h3461114H51213H212H3(H2326)(H2425)b1914
MFCD02169998
N((1Z)1(2fluorophenyl)3((3methoxypropyl)amino)3oxoprop1en2yl)4methylbenzamide
N((Z)1(2FLUOROPHENYL)3(3METHOXYPROPYLAMINO)3OXOPROP1EN2YL)4METHYLBENZAMIDE
ZINC000006190203
ZINC06190203
ZINC6190203

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Available files

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