Vitas-M small molecule compound
6-(4-methoxyphenyl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 4-tert-butylbenzoate
Catalog ID
STL182895
SMILES COc1ccc(cc1)c1cc(OC(=O)c2ccc(cc2)C(C)(C)C)c2c(c(=O)c1)c(oc2C)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 C29H28O5 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O5/c1-17-26-24(30)15-21(19-9-13-23(32-6)14-10-19)16-25(27(26)18(2)33-17)34-28(31)20-7-11-22(12-8-20)29(3,4)5/h7-16H,1-6H3InChIKey
PQXMDOGBSZQQCT-UHFFFAOYSA-NSynonyms
891048-29-6(6(4METHOXYPHENYL)13DIMETHYL8OXOCYCLOHEPTA(C)FURAN4YL)4TERTBUTYLBENZOATE
6(4methoxyphenyl)13dimethyl4oxo4Hcyclohepta(c)furan8yl4tertbutylbenzoate
891048296
CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=C(C=C3)OC)OC(=O)C4=CC=C(C=C4)C(C)(C)C
InChI=1SC29H28O5c1172624(30)1521(1991323(326)141019)1625(27(26)18(2)3317)3428(31)2071122(12820)29(34)5h716H16H3
MFCD14812304
ZINC000020445556
ZINC20445556
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