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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 bisbicyclo[4.1.0]heptane-7-carboxylate

Catalog ID
STK088366
SMILES O=C(C1C2C1CCCC2)Oc1cc(C)c(cc1C(C)C)C1(OC(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)OC(=O)C1C2C1CCCC2

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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 C44H50O6 MW 674.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C44H50O6/c1-23(2)32-21-35(25(5)19-37(32)48-42(46)39-27-13-7-8-14-28(27)39)44(34-18-12-11-17-31(34)41(45)50-44)36-22-33(24(3)4)38(20-26(36)6)49-43(47)40-29-15-9-10-16-30(29)40/h11-12,17-24,27-30,39-40H,7-10,13-16H2,1-6H3
InChIKey
GQUCODPQLUPVCR-UHFFFAOYSA-N
Synonyms

(3OXO13DIHYDRO2BENZOFURAN11DIYL)BIS5METHYL2(PROPAN2YL)BENZENE41DIYLBISBICYCLO(410)HEPTANE7CARBOXYLATE
(4(1(4(BICYCLO(410)HEPTANE7CARBONYLOXY)2METHYL5PROPAN2YLPHENYL)3OXO2BENZOFURAN1YL)5METHYL2PROPAN2YLPHENYL)BICYCLO(410)HEPTANE7CARBOXYLATE
4(1(4((BICYCLO(410)HEPT7YLCARBONYL)OXY)5ISOPROPYL2METHYLPHENYL)3OXO13DIHYDRO2BENZOFURAN1YL)2ISOPROPYL5METHYLPHENYLBICYCLO(410)HEPTANE7CARBOXYLATE
4(1(4BICYCLO(410)HEPT7YLCARBONYLOXY2METHYL5(METHYLETHYL)PHENYL)3OXOHYDROISOBENZOFURANYL)5METHYL2(METHYLETHYL)PHENYLBICYCLO(410)HEPTANE7CARBOXYLATE
CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)OC(=O)C5C6C5CCCC6)C(C)C)C(C)C)OC(=O)C7C8C7CCCC8
InChI=1SC44H50O6c123(2)322135(25(5)1937(32)4842(46)392713781428(27)39)44(341812111731(34)41(45)5044)362233(24(3)4)38(2026(36)6)4943(47)4029159101630(29)40h1112172427303940H7101316H216H3
MFCD00301920
O=C(C1C2C1CCCC2)Oc1cc(C)c(cc1C(C)C)C1(OC(=O)c2c1cccc2)c1cc(C(C)C)c(cc1C)OC(=O)C1C2C1CCCC2
STK088366
ZINC000230007081
ZINC000239306278

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Available files

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

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