Vitas-M small molecule compound
(4Z)-4-(4-bromobenzylidene)-6,7-dimethoxy-1,4-dihydro-3H-isochromen-3-one
Catalog ID
STL226786
SMILES COc1cc2c(cc1OC)COC(=O)/C/2=C\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 C18H15BrO4 MW 375.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrO4/c1-21-16-8-12-10-23-18(20)15(14(12)9-17(16)22-2)7-11-3-5-13(19)6-4-11/h3-9H,10H2,1-2H3/b15-7-InChIKey
MXFIQQQOZRFJGZ-CHHVJCJISA-NSynonyms
(4Z)4((4BROMOPHENYL)METHYLIDENE)67DIMETHOXY1HISOCHROMEN3ONE
(4Z)4(4bromobenzylidene)67dimethoxy14dihydro3Hisochromen3one
4(1(4BROMOPHENYL)METH(Z)YLIDENE)67DIMETHOXYISOCHROMAN3ONE
4(4bromobenzylidene)67dimethoxyisochroman3one
COC1=C(C=C2C(=C1)COC(=O)C2=CC3=CC=C(C=C3)Br)OC
COc1cc2c(cc1OC)COC(=O)C2=Cc1ccc(cc1)Br
InChI=1SC18H15BrO4c12116812102318(20)15(14(12)917(16)222)7113513(19)6411h39H10H212H3b157
MFCD01073271
ZINC000005512917
ZINC05512917
ZINC5512917
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