Vitas-M small molecule compound
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-ethoxyphenyl)methanone
Catalog ID
STK205891
SMILES CCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)[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 C28H30N4O4 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O4/c1-2-36-25-10-7-22(8-11-25)28(33)30-17-15-29(16-18-30)24-9-12-26(32(34)35)27(19-24)31-14-13-21-5-3-4-6-23(21)20-31/h3-12,19H,2,13-18,20H2,1H3InChIKey
IKYZJPWSCWAWRM-UHFFFAOYSA-NSynonyms
(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)(4ETHOXYPHENYL)METHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(4ETHOXYPHENYL)METHANONE
CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
CCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC28H30N4O4c12362510722(81125)28(33)30171529(161830)2491226(32(34)35)27(1924)31141321534623(21)2031h31219H2131820H21H3
MFCD05838561
ZINC000009971688
ZINC09971688
ZINC9971688
Check stock
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Check stock on Vitas-MAvailable files
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