Vitas-M small molecule compound
(1Z)-3-(2,4-dichlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)butan-2-one
Catalog ID
STK572598
SMILES COc1cc2/C(=C/C(=O)C(Oc3ccc(cc3Cl)Cl)C)/NCCc2cc1OC
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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 C21H21Cl2NO4 MW 422.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21Cl2NO4/c1-12(28-19-5-4-14(22)9-16(19)23)18(25)11-17-15-10-21(27-3)20(26-2)8-13(15)6-7-24-17/h4-5,8-12,24H,6-7H2,1-3H3/b17-11-InChIKey
DQSCMMQIZDKXHG-BOPFTXTBSA-NSynonyms
883951-23-3(1Z)3(24dichlorophenoxy)1(67dimethoxy34dihydro2Hisoquinolin1ylidene)butan2one
(1Z)3(24dichlorophenoxy)1(67dimethoxy34dihydroisoquinolin1(2H)ylidene)butan2one
(Z)3(24dichlorophenoxy)1(67dimethoxy34dihydroisoquinolin1(2H)ylidene)butan2one
883951233
CC(C(=O)C=C1C2=CC(=C(C=C2CCN1)OC)OC)OC3=C(C=C(C=C3)Cl)Cl
COc1cc2C(=CC(=O)C(Oc3ccc(cc3Cl)Cl)C)NCCc2cc1OC
InChI=1SC21H21Cl2NO4c112(28195414(22)916(19)23)18(25)1117151021(273)20(262)813(15)672417h4581224H67H213H3b1711
MFCD07638529
ZINC000013576819
ZINC000013576821
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