Vitas-M small molecule compound

(2E)-3-(4-chlorophenyl)-1-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2(1H)-yl)prop-2-en-1-one

Catalog ID
STK595651
SMILES COc1cc2c(cc1OC)CCN(C2=C)C(=O)/C=C/c1ccc(cc1)Cl

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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 C21H20ClNO3 MW 369.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO3/c1-14-18-13-20(26-3)19(25-2)12-16(18)10-11-23(14)21(24)9-6-15-4-7-17(22)8-5-15/h4-9,12-13H,1,10-11H2,2-3H3/b9-6+
InChIKey
AFFSZLPGRCDGAL-RMKNXTFCSA-N
Synonyms
883957-26-4
(2E)3(4chlorophenyl)1(67dimethoxy1methylidene34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(4chlorophenyl)1(67dimethoxy1methylene34dihydroisoquinolin2(1H)yl)prop2en1one
(E)3(4CHLOROPHENYL)1(67DIMETHOXY1METHYLIDENE34DIHYDROISOQUINOLIN2YL)PROP2EN1ONE
883957264
COC1=C(C=C2C(=C)N(CCC2=C1)C(=O)C=CC3=CC=C(C=C3)Cl)OC
COc1cc2c(cc1OC)CCN(C2=C)C(=O)C=Cc1ccc(cc1)Cl
InChI=1SC21H20ClNO3c114181320(263)19(252)1216(18)101123(14)21(24)96154717(22)8515h491213H11011H223H3b96+
MFCD06781323
ZINC000005322371
ZINC05322371
ZINC5322371

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Available files

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