Vitas-M small molecule compound
2-(4-cyclohexylphenoxy)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]ethanone
Catalog ID
STK892040
SMILES COc1ccc(c(c1)[N+](=O)[O-])N1CCN(CC1)C(=O)COc1ccc(cc1)C1CCCCC1
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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 C25H31N3O5 MW 453.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O5/c1-32-22-11-12-23(24(17-22)28(30)31)26-13-15-27(16-14-26)25(29)18-33-21-9-7-20(8-10-21)19-5-3-2-4-6-19/h7-12,17,19H,2-6,13-16,18H2,1H3InChIKey
YDUBFYIHZUAMSD-UHFFFAOYSA-NSynonyms
2(4cyclohexylphenoxy)1(4(4methoxy2nitrophenyl)piperazin1yl)ethanone
COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C4CCCCC4)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))N1CCN(CC1)C(=O)COc1ccc(cc1)C1CCCCC1
InChI=1SC25H31N3O5c13222111223(24(1722)28(30)31)26131527(161426)25(29)1833219720(81021)195324619h7121719H26131618H21H3
MFCD05829369
ZINC000016215610
ZINC16215610
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