Vitas-M small molecule compound
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(4-propoxyphenyl)methanone
Catalog ID
STK205959
SMILES CCCOc1ccc(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 C29H32N4O4 MW 500.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O4/c1-2-19-37-26-10-7-23(8-11-26)29(34)31-17-15-30(16-18-31)25-9-12-27(33(35)36)28(20-25)32-14-13-22-5-3-4-6-24(22)21-32/h3-12,20H,2,13-19,21H2,1H3InChIKey
WILHDFOCWDKEDE-UHFFFAOYSA-NSynonyms
(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)(4PROPOXYPHENYL)METHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(4PROPOXYPHENYL)METHANONE
CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
CCCOc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC29H32N4O4c1219372610723(81126)29(34)31171530(161831)2591227(33(35)36)28(2025)32141322534624(22)2132h31220H2131921H21H3
MFCD06167705
ZINC000009971755
ZINC09971755
ZINC9971755
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.