Vitas-M small molecule compound
3-benzyl-7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-4-methyl-2H-chromen-2-one
Catalog ID
STL459689
SMILES C/C(=C\COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)/CCC=C(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 C27H30O3 MW 402.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30O3/c1-19(2)9-8-10-20(3)15-16-29-23-13-14-24-21(4)25(27(28)30-26(24)18-23)17-22-11-6-5-7-12-22/h5-7,9,11-15,18H,8,10,16-17H2,1-4H3/b20-15+InChIKey
STKDKIMOAYXKMF-HMMYKYKNSA-NSynonyms
(Z)3benzyl7((37dimethylocta26dien1yl)oxy)4methyl2Hchromen2one
3benzyl7(((2E)37dimethylocta26dien1yl)oxy)4methyl2Hchromen2one
3BENZYL7((2E)37DIMETHYLOCTA26DIENOXY)4METHYLCHROMEN2ONE
CC(=CCOc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)CCC=C(C)C
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C(C)CCC=C(C)C)CC3=CC=CC=C3
InChI=1SC27H30O3c119(2)981020(3)1516292313142421(4)25(27(28)3026(24)1823)1722116571222h579111518H8101617H214H3b2015+
MFCD03212560
ZINC000002134596
ZINC02134596
ZINC2134596
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