Vitas-M small molecule compound

(4-methylphenyl)(4-{4-nitro-3-[(tetrahydrofuran-2-ylmethyl)amino]phenyl}piperazin-1-yl)methanone

Catalog ID
STK157476
SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)NCC1CCCO1)[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 C23H28N4O4 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O4/c1-17-4-6-18(7-5-17)23(28)26-12-10-25(11-13-26)19-8-9-22(27(29)30)21(15-19)24-16-20-3-2-14-31-20/h4-9,15,20,24H,2-3,10-14,16H2,1H3
InChIKey
RDOPJPHZUJBBIQ-UHFFFAOYSA-N
Synonyms

(4METHYLPHENYL)(4(4NITRO3((TETRAHYDROFURAN2YLMETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(4METHYLPHENYL)(4(4NITRO3(OXOLAN2YLMETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCC4CCCO4
InChI=1SC23H28N4O4c1174618(7517)23(28)26121025(111326)198922(27(29)30)21(1519)24162032143120h49152024H23101416H21H3
MFCD03614893
ZINC000004688166
ZINC000004688168

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Available files

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