Vitas-M small molecule compound
(2E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)prop-2-en-1-one
Catalog ID
STK002098
SMILES Clc1ccc(c(c1)Cl)/C=C/C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C21H20Cl2N2O3 MW 419.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N2O3/c22-17-4-2-16(18(23)12-17)3-6-21(26)25-9-7-24(8-10-25)13-15-1-5-19-20(11-15)28-14-27-19/h1-6,11-12H,7-10,13-14H2/b6-3+InChIKey
DBXFMQNJWDFZCJ-ZZXKWVIFSA-NSynonyms
(2E)1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)3(24DICHLOROPHENYL)PROP2EN1ONE
(E)1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)3(24DICHLOROPHENYL)PROP2EN1ONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)C=CC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H20Cl2N2O3c22174216(18(23)1217)3621(26)259724(81025)1315151920(1115)28142719h161112H7101314H2b63+
MFCD02619994
STK002098
ZINC000019798337
ZINC19798337
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