Vitas-M small molecule compound
(3,4-dimethoxyphenyl)(4-{4-nitro-3-[(2-phenylethyl)amino]phenyl}piperazin-1-yl)methanone
Catalog ID
STK172050
SMILES COc1cc(ccc1OC)C(=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 C27H30N4O5 MW 490.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O5/c1-35-25-11-8-21(18-26(25)36-2)27(32)30-16-14-29(15-17-30)22-9-10-24(31(33)34)23(19-22)28-13-12-20-6-4-3-5-7-20/h3-11,18-19,28H,12-17H2,1-2H3InChIKey
BDDSORAVERZLAL-UHFFFAOYSA-NSynonyms
(34DIMETHOXYPHENYL)(4(4NITRO3((2PHENYLETHYL)AMINO)PHENYL)PIPERAZIN1YL)METHANONE
(34dimethoxyphenyl)(4(4nitro3(2phenylethylamino)phenyl)piperazin1yl)methanone
(34DIMETHOXYPHENYL)(4(4NITRO3(PHENETHYLAMINO)PHENYL)PIPERAZIN1YL)METHANONE
COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))NCCC4=CC=CC=C4)OC
COc1cc(ccc1OC)C(=O)N1CCN(CC1)c1ccc(c(c1)NCCc1ccccc1)(N+)(=O)(O)
InChI=1SC27H30N4O5c1352511821(1826(25)362)27(32)30161429(151730)2291024(31(33)34)23(1922)281312206435720h311181928H1217H212H3
MFCD05661683
ZINC000004125114
ZINC04125114
ZINC4125114
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