Vitas-M small molecule compound

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

Catalog ID
STK158102
SMILES COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)[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/c1-20-7-6-10-23(26(20)35-2)27(32)30-17-15-29(16-18-30)22-11-12-25(31(33)34)24(19-22)28-14-13-21-8-4-3-5-9-21/h3-12,19,28H,13-18H2,1-2H3
InChIKey
JFXRXQUTQDGMPF-UHFFFAOYSA-N
Synonyms
592466-79-0
(2METHOXY3METHYLPHENYL)(4(4NITRO3((2PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(2methoxy3methylphenyl)(4(4nitro3(2phenylethylamino)phenyl)piperazin1yl)methanone
(2METHOXY3METHYLPHENYL)(4(4NITRO3(PHENETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
592466790
CC1=CC=CC(=C1OC)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCCC4=CC=CC=C4
COc1c(C)cccc1C(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)(N+)(=O)(O)
InChI=1SC27H30N4O4c120761023(26(20)352)27(32)30171529(161830)22111225(31(33)34)24(1922)281413218435921h3121928H1318H212H3
MFCD03684615
ZINC000009008892
ZINC09008892
ZINC9008892

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Available files

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