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Vitas-M small molecule compound

3,3-bis[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-2-benzofuran-1(3H)-one

Catalog ID
STK027809
SMILES O=C1OC(c2c1cccc2)(c1cc(C(C)C)c(cc1C)O)c1cc(C(C)C)c(cc1C)O

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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 C28H30O4 MW 430.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
InChIKey
LDKDGDIWEUUXSH-UHFFFAOYSA-N
Synonyms
125-20-2
1(3H)ISOBENZOFURANONE33BIS(4HYDROXY2METHYL5(1METHYLETHYL)PHENYL)
1(3H)ISOBENZOFURANONE3BIS(4HYDROXY2METHYL5(1METHYLETHYL)PHENYL)
125202
33BIS(2METHYL4OXIDANYL5PROPAN2YLPHENYL)2BENZOFURAN1ONE
33BIS(4HYDROXY2METHYL5(METHYLETHYL)PHENYL)3HYDROISOBENZOFURAN1ONE
33BIS(4HYDROXY2METHYL5(PROPAN2YL)PHENYL)13DIHYDRO2BENZOFURAN1ONE
33BIS(4HYDROXY2METHYL5(PROPAN2YL)PHENYL)2BENZOFURAN1(3H)ONE
33BIS(4HYDROXY2METHYL5PROPAN2YLPHENYL)1ISOBENZOFURANONE
33BIS(4HYDROXY2METHYL5PROPAN2YLPHENYL)2BENZOFURAN1ONE
33BIS(4HYDROXY5ISOPROPYL2METHYLPHENYL)2BENZOFURAN1(3H)ONE
33BIS(4HYDROXY5ISOPROPYL2METHYLPHENYL)ISOBENZOFURAN1ONE
33BIS(4HYDROXY5ISOPROPYLOTOLYL)PHTHALIDE
55DIISOPROPYL22DIMETHYLPHENOLPHTHALEIN
CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O
InChI=1SC28H30O4c115(2)201323(17(5)1125(20)29)28(221087919(22)27(31)3228)241421(16(3)4)26(30)1218(24)6h7162930H16H3
MFCD00005909
O=C1OC(c2c1cccc2)(c1cc(C(C)C)c(cc1C)O)c1cc(C(C)C)c(cc1C)O
PHENOLPHTHALEIN55DIISOPROPYL22DIMETHYL
PHENOLPHTHALEIN55DIISOPROPYL22DIMETHYL(8CI)
PHENOLPHTHALEIN5DIISOPROPYL22DIMETHYL
STK027809
THYMOLPHENOLPHTHALEIN
THYMOLPHTHALEIN
THYMOLPHTHALEINACS
THYMOLPHTHALEINACSREAGENT
THYMOPHTHALEIN
ZINC000003860920
ZINC03860920
ZINC3860920

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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