Vitas-M small molecule compound

propane-2,2-diylbis-2-methylbenzene-4,1-diyl bis(4-tert-butylbenzoate)

Catalog ID
STK388951
SMILES Cc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C(c1ccc(c(c1)C)OC(=O)c1ccc(cc1)C(C)(C)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 C39H44O4 MW 576.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H44O4/c1-25-23-31(19-21-33(25)42-35(40)27-11-15-29(16-12-27)37(3,4)5)39(9,10)32-20-22-34(26(2)24-32)43-36(41)28-13-17-30(18-14-28)38(6,7)8/h11-24H,1-10H3
InChIKey
VFBMVFOLKBQPFB-UHFFFAOYSA-N
Synonyms
300669-14-1
(4(2(4(4TERTBUTYLBENZOYL)OXY3METHYLPHENYL)PROPAN2YL)2METHYLPHENYL)4TERTBUTYLBENZOATE
300669141
4(1(4((4TERTBUTYLBENZOYL)OXY)3METHYLPHENYL)1METHYLETHYL)2METHYLPHENYL4TERTBUTYLBENZOATE
CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C(C)(C)C)C)OC(=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC39H44O4c1252331(192133(25)4235(40)27111529(161227)37(34)5)39(910)32202234(26(2)2432)4336(41)28131730(181428)38(67)8h1124H110H3
MFCD00311599
propane22diylbis(2methyl41phenylene)bis(4(tertbutyl)benzoate)
propane22diylbis2methylbenzene41diylbis(4tertbutylbenzoate)
ZINC000002590177
ZINC02590177
ZINC2590177

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Available files

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