Vitas-M small molecule compound
(2E)-3-(2,4-dichlorophenyl)-1-{4-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-4-nitrophenyl]piperazin-1-yl}prop-2-en-1-one
Catalog ID
STK175344
SMILES Clc1ccc(c(c1)Cl)/C=C/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 C28H26Cl2N4O3 MW 537.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26Cl2N4O3/c29-23-7-5-21(25(30)17-23)6-10-28(35)32-15-13-31(14-16-32)24-8-9-26(34(36)37)27(18-24)33-12-11-20-3-1-2-4-22(20)19-33/h1-10,17-18H,11-16,19H2/b10-6+InChIKey
QEJGULGJUOCLKF-UXBLZVDNSA-NSynonyms
(2E)3(24DICHLOROPHENYL)1(4(3(34DIHYDROISOQUINOLIN2(1H)YL)4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
(E)3(24DICHLOROPHENYL)1(4(3(34DIHYDRO1HISOQUINOLIN2YL)4NITROPHENYL)PIPERAZIN1YL)PROP2EN1ONE
C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C=CC5=C(C=C(C=C5)Cl)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCN(CC1)c1ccc(c(c1)N1CCc2c(C1)cccc2)(N+)(=O)(O)
InChI=1SC28H26Cl2N4O3c29237521(25(30)1723)61028(35)32151331(141632)248926(34(36)37)27(1824)33121120312422(20)1933h1101718H111619H2b106+
MFCD04072116
ZINC000100374692
ZINC100374692
Check stock
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