Vitas-M small molecule compound
1-(4-{3-[(furan-2-ylmethyl)amino]-4-nitrophenyl}piperazin-1-yl)-3-methylbutan-1-one
Catalog ID
STK089306
SMILES CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)[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 C20H26N4O4 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O4/c1-15(2)12-20(25)23-9-7-22(8-10-23)16-5-6-19(24(26)27)18(13-16)21-14-17-4-3-11-28-17/h3-6,11,13,15,21H,7-10,12,14H2,1-2H3InChIKey
KLKGDVXKFCAXPQ-UHFFFAOYSA-NSynonyms
1(4(3((FURAN2YLMETHYL)AMINO)4NITROPHENYL)PIPERAZIN1YL)3METHYLBUTAN1ONE
1(4(3(FURAN2YLMETHYLAMINO)4NITROPHENYL)PIPERAZIN1YL)3METHYLBUTAN1ONE
CC(C)CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)(N+)(=O)(O))NCC3=CC=CO3
CC(CC(=O)N1CCN(CC1)c1ccc(c(c1)NCc1ccco1)(N+)(=O)(O))C
InChI=1SC20H26N4O4c115(2)1220(25)239722(81023)165619(24(26)27)18(1316)21141743112817h3611131521H7101214H212H3
MFCD03146609
STK089306
ZINC000004187957
ZINC04187957
ZINC4187957
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