Vitas-M small molecule compound
(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)dibenzene-4,1-diyl bisbicyclo[4.1.0]heptane-7-carboxylate
Catalog ID
STL170586
SMILES O=C(C1C2C1CCCC2)Oc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(cc1)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 C36H34O6 MW 562.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H34O6/c37-33-29-11-5-6-12-30(29)36(42-33,21-13-17-23(18-14-21)40-34(38)31-25-7-1-2-8-26(25)31)22-15-19-24(20-16-22)41-35(39)32-27-9-3-4-10-28(27)32/h5-6,11-20,25-28,31-32H,1-4,7-10H2InChIKey
SMLZOAVHWOGOAJ-UHFFFAOYSA-NSynonyms
497820-23-2(3oxo13dihydro2benzofuran11diyl)dibenzene41diylbisbicyclo(410)heptane7carboxylate
(4(1(4(BICYCLO(410)HEPTANE7CARBONYLOXY)PHENYL)3OXO2BENZOFURAN1YL)PHENYL)BICYCLO(410)HEPTANE7CARBOXYLATE
497820232
C1CCC2C(C1)C2C(=O)OC3=CC=C(C=C3)C4(C5=CC=CC=C5C(=O)O4)C6=CC=C(C=C6)OC(=O)C7C8C7CCCC8
InChI=1SC36H34O6c37332911561230(29)36(423321131723(181421)4034(38)3125712826(25)31)22151924(201622)4135(39)32279341028(27)32h56112025283132H14710H2
MFCD00312039
ZINC000229926010
ZINC000252428187
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