Vitas-M small molecule compound
1-benzofuran-2-yl(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone
Catalog ID
STK198667
SMILES [O-][N+](=O)c1ccc(cc1NC(c1ccccc1)C)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2
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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 C27H26N4O4 MW 470.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4/c1-19(20-7-3-2-4-8-20)28-23-18-22(11-12-24(23)31(33)34)29-13-15-30(16-14-29)27(32)26-17-21-9-5-6-10-25(21)35-26/h2-12,17-19,28H,13-16H2,1H3InChIKey
JJRAYSZPMWPESD-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1NC(c1ccccc1)C)N1CCN(CC1)C(=O)c1cc2c(o1)cccc2
1BENZOFURAN2YL(4(4NITRO3((1PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
1BENZOFURAN2YL(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
CC(C1=CC=CC=C1)NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5O4)(N+)(=O)(O)
InChI=1SC27H26N4O4c119(207324820)28231822(111224(23)31(33)34)29131530(161429)27(32)2617219561025(21)3526h212171928H1316H21H3
MFCD05826437
ZINC000009934620
ZINC000009934621
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