Vitas-M small molecule compound
(1Z)-3-(4-chlorophenoxy)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-ylidene)butan-2-one
Catalog ID
STK581446
SMILES COc1cc2/C(=C/C(=O)C(Oc3ccc(cc3)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 C21H22ClNO4 MW 387.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO4/c1-13(27-16-6-4-15(22)5-7-16)19(24)12-18-17-11-21(26-3)20(25-2)10-14(17)8-9-23-18/h4-7,10-13,23H,8-9H2,1-3H3/b18-12-InChIKey
UHNXCSKBFZCLPD-PDGQHHTCSA-NSynonyms
883950-78-5(1Z)3(4chlorophenoxy)1(67dimethoxy34dihydro2Hisoquinolin1ylidene)butan2one
(1Z)3(4chlorophenoxy)1(67dimethoxy34dihydroisoquinolin1(2H)ylidene)butan2one
(Z)3(4chlorophenoxy)1(67dimethoxy34dihydroisoquinolin1(2H)ylidene)butan2one
883950785
CC(C(=O)C=C1C2=CC(=C(C=C2CCN1)OC)OC)OC3=CC=C(C=C3)Cl
COc1cc2C(=CC(=O)C(Oc3ccc(cc3)Cl)C)NCCc2cc1OC
InChI=1SC21H22ClNO4c113(27166415(22)5716)19(24)1218171121(263)20(252)1014(17)892318h47101323H89H213H3b1812
MFCD07640076
ZINC000005429273
ZINC000005429276
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