Vitas-M small molecule compound

9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Catalog ID
STK199246
SMILES CCOc1cc(ccc1O)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(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 C25H30O5 MW 410.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O5/c1-6-29-18-9-14(7-8-15(18)26)21-22-16(27)10-24(2,3)12-19(22)30-20-13-25(4,5)11-17(28)23(20)21/h7-9,21,26H,6,10-13H2,1-5H3
InChIKey
MJEPXLGVNQBDFZ-UHFFFAOYSA-N
Synonyms
331243-54-0
331243540
9(3ethoxy4hydroxyphenyl)3366tetramethyl345679hexahydro1Hxanthene18(2H)dione
9(3ethoxy4hydroxyphenyl)3366tetramethyl4579tetrahydro2Hxanthene18dione
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)OC4=C2C(=O)CC(C4)(C)C)O
InChI=1SC25H30O5c162918914(7815(18)26)212216(27)1024(23)1219(22)30201325(45)1117(28)23(20)21h792126H61013H215H3
MFCD00501838
ZINC000000712085
ZINC00712085
ZINC712085

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Available files

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