Vitas-M small molecule compound
4-{[2-methoxy-4-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)phenoxy]methyl}benzoic acid
Catalog ID
STK052276
SMILES COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C1OCC2C(C1C(=CC2C)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 C26H30O5 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30O5/c1-15-11-16(2)24-17(3)21(15)14-31-25(24)20-9-10-22(23(12-20)29-4)30-13-18-5-7-19(8-6-18)26(27)28/h5-12,15,17,21,24-25H,13-14H2,1-4H3,(H,27,28)InChIKey
MWCFKMDOPSZIPZ-UHFFFAOYSA-NSynonyms
1005117-06-51005117065
4((2METHOXY4(249TRIMETHYL7OXABICYCLO(331)NON3EN6YL)PHENOXY)METHYL)BENZOICACID
4((2METHOXY4(689TRIMETHYL3OXABICYCLO(331)NON7EN2YL)PHENOXY)METHYL)BENZOICACID
CC1C=C(C2C(C1COC2C3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)OC)C)C
COc1cc(ccc1OCc1ccc(cc1)C(=O)O)C1OCC2C(C1C(=CC2C)C)C
InChI=1SC26H30O5c1151116(2)2417(3)21(15)143125(24)2091022(23(1220)294)3013185719(8618)26(27)28h5121517212425H1314H214H3(H2728)
MFCD03304536
STK052276
ZINC000101997496
ZINC000239164763
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