Vitas-M small molecule compound

methyl {4,8-dimethyl-2-oxo-7-[(pentamethylbenzyl)oxy]-2H-chromen-3-yl}acetate

Catalog ID
STL460422
SMILES COC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)OCc1c(C)c(C)c(c(c1C)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/c1-13-14(2)16(4)22(17(5)15(13)3)12-30-23-10-9-20-18(6)21(11-24(27)29-8)26(28)31-25(20)19(23)7/h9-10H,11-12H2,1-8H3
InChIKey
CXWPSARVMFMNGN-UHFFFAOYSA-N
Synonyms
858752-58-6
858752586
CC1=C(C(=C(C(=C1C)C)COC2=C(C3=C(C=C2)C(=C(C(=O)O3)CC(=O)OC)C)C)C)C
InChI=1SC26H30O5c11314(2)16(4)22(17(5)15(13)3)1230231092018(6)21(1124(27)298)26(28)3125(20)19(23)7h910H1112H218H3
methyl(48dimethyl2oxo7((pentamethylbenzyl)oxy)2Hchromen3yl)acetate
methyl2(48dimethyl2oxo7((23456pentamethylbenzyl)oxy)2Hchromen3yl)acetate
methyl2(48dimethyl2oxo7((23456pentamethylphenyl)methoxy)chromen3yl)acetate
MFCD03851230
ZINC000002148638
ZINC02148638
ZINC2148638

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Available files

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