Vitas-M small molecule compound

(2E)-1-(4-bromophenyl)-3-[(1S)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]prop-2-en-1-one

Catalog ID
STL524780
SMILES COc1cc2c(cc1O)CCN([C@H]2C)/C=C/C(=O)c1ccc(cc1)Br

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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 C20H20BrNO3 MW 402.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO3/c1-13-17-12-20(25-2)19(24)11-15(17)7-9-22(13)10-8-18(23)14-3-5-16(21)6-4-14/h3-6,8,10-13,24H,7,9H2,1-2H3/b10-8+/t13-/m0/s1
InChIKey
BWSRBKWNZOVOET-FROQITRMSA-N
Synonyms

(~(E))1(4bromophenyl)3((1~(S))6hydroxy7methoxy1methyl34dihydro1~(H)isoquinolin2yl)prop2en1one
(2E)1(4bromophenyl)3((1S)6hydroxy7methoxy1methyl34dihydroisoquinolin2(1H)yl)prop2en1one
(E)1(4BROMOPHENYL)3((1S)6HYDROXY7METHOXY1METHYL34DIHYDRO1HISOQUINOLIN2YL)PROP2EN1ONE
(RE)1(4bromophenyl)3(6hydroxy7methoxy1methyl34dihydroisoquinolin2(1H)yl)prop2en1one
6571757
COc1cc2c(cc1O)CCN((C@@H)2C)C=CC(=O)c1ccc(cc1)Br
InChI=1SC20H20BrNO3c113171220(252)19(24)1115(17)7922(13)10818(23)143516(21)6414h368101324H79H212H3b108+t13m0s1
MFCD02115731
ZINC000004047159

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Available files

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