Vitas-M small molecule compound
(4Z)-6,7-dimethoxy-4-[4-(propan-2-yl)benzylidene]-1,4-dihydro-3H-isochromen-3-one
Catalog ID
STL466340
SMILES COc1cc2c(cc1OC)COC(=O)/C/2=C\c1ccc(cc1)C(C)C
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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 C21H22O4 MW 338.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22O4/c1-13(2)15-7-5-14(6-8-15)9-18-17-11-20(24-4)19(23-3)10-16(17)12-25-21(18)22/h5-11,13H,12H2,1-4H3/b18-9-InChIKey
ZNIBPUJCPPWAJD-NVMNQCDNSA-NSynonyms
(4Z)67DIMETHOXY4((4PROPAN2YLPHENYL)METHYLIDENE)1HISOCHROMEN3ONE
(4Z)67dimethoxy4(4(propan2yl)benzylidene)14dihydro3Hisochromen3one
4(4isopropylbenzylidene)67dimethoxyisochroman3one
CC(C)C1=CC=C(C=C1)C=C2C3=CC(=C(C=C3COC2=O)OC)OC
COc1cc2c(cc1OC)COC(=O)C2=Cc1ccc(cc1)C(C)C
InChI=1SC21H22O4c113(2)157514(6815)918171120(244)19(233)1016(17)122521(18)22h51113H12H214H3b189
MFCD05672382
ZINC000002112377
ZINC02112377
ZINC2112377
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