Vitas-M small molecule compound

(3-ethoxyphenyl)(4-{4-nitro-3-[(1-phenylethyl)amino]phenyl}piperazin-1-yl)methanone

Catalog ID
STK157800
SMILES CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)[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 C27H30N4O4 MW 474.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O4/c1-3-35-24-11-7-10-22(18-24)27(32)30-16-14-29(15-17-30)23-12-13-26(31(33)34)25(19-23)28-20(2)21-8-5-4-6-9-21/h4-13,18-20,28H,3,14-17H2,1-2H3
InChIKey
QZMWCSMAMQISMG-UHFFFAOYSA-N
Synonyms
591736-76-4
(3ETHOXYPHENYL)(4(4NITRO3((1PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(3ETHOXYPHENYL)(4(4NITRO3(1PHENYLETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
591736764
CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NC(C)C4=CC=CC=C4
CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)NC(c1ccccc1)C)(N+)(=O)(O)
InChI=1SC27H30N4O4c1335241171022(1824)27(32)30161429(151730)23121326(31(33)34)25(1923)2820(2)218546921h413182028H31417H212H3
MFCD03690890
ZINC000009008875
ZINC000009008876

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Available files

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