Vitas-M small molecule compound

(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis-5-methyl-2-(propan-2-yl)benzene-4,1-diyl diacetate

Catalog ID
STK027513
SMILES CC(=O)Oc1cc(C)c(cc1C(C)C)C1(OC(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)OC(=O)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 C32H34O6 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34O6/c1-17(2)24-15-27(19(5)13-29(24)36-21(7)33)32(26-12-10-9-11-23(26)31(35)38-32)28-16-25(18(3)4)30(14-20(28)6)37-22(8)34/h9-18H,1-8H3
InChIKey
IDSHJIKWDNOMJY-UHFFFAOYSA-N
Synonyms
301327-03-7
(3OXO13DIHYDRO2BENZOFURAN11DIYL)BIS5METHYL2(PROPAN2YL)BENZENE41DIYLDIACETATE
(3oxo13dihydroisobenzofuran11diyl)bis(2isopropyl5methyl41phenylene)diacetate
(4(1(4ACETYLOXY2METHYL5PROPAN2YLPHENYL)3OXO2BENZOFURAN1YL)5METHYL2PROPAN2YLPHENYL)ACETATE
301327037
4(1(4(ACETYLOXY)5ISOPROPYL2METHYLPHENYL)3OXO13DIHYDRO2BENZOFURAN1YL)2ISOPROPYL5METHYLPHENYLACETATE
4(1(4ACETYLOXY2METHYL5(METHYLETHYL)PHENYL)3OXOHYDROISOBENZOFURANYL)5METHYL2(METHYLETHYL)PHENYLACETATE
CC(=O)Oc1cc(C)c(cc1C(C)C)C1(OC(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)OC(=O)C
CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OC(=O)C)C(C)C)C(C)C)OC(=O)C
InChI=1SC32H34O6c117(2)241527(19(5)1329(24)3621(7)33)32(26121091123(26)31(35)3832)281625(18(3)4)30(1420(28)6)3722(8)34h918H18H3
MFCD00312007
STK027513
ZINC000005223866
ZINC05223866
ZINC5223866

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Available files

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