Vitas-M small molecule compound
{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}(3-ethoxyphenyl)methanone
Catalog ID
STK171950
SMILES CCOc1cccc(c1)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/c1-2-36-25-9-5-8-22(18-25)28(33)30-16-14-29(15-17-30)24-10-11-26(32(34)35)27(19-24)31-13-12-21-6-3-4-7-23(21)20-31/h3-11,18-19H,2,12-17,20H2,1H3InChIKey
BNNOZRATGYMSRQ-UHFFFAOYSA-NSynonyms
(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)(3ETHOXYPHENYL)METHANONE
(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)(3ETHOXYPHENYL)METHANONE
CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)(N+)(=O)(O))N4CCC5=CC=CC=C5C4
CCOc1cccc(c1)C(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC28H30N4O4c12362595822(1825)28(33)30161429(151730)24101126(32(34)35)27(1924)31131221634723(21)2031h3111819H2121720H21H3
MFCD05992384
ZINC000009891912
ZINC09891912
ZINC9891912
Check stock
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Check stock on Vitas-MAvailable files
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