Vitas-M small molecule compound
3-benzyl-7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-4,8-dimethyl-2H-chromen-2-one
Catalog ID
STL459633
SMILES C/C(=C\COc1ccc2c(c1C)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 C28H32O3 MW 416.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32O3/c1-19(2)10-9-11-20(3)16-17-30-26-15-14-24-21(4)25(18-23-12-7-6-8-13-23)28(29)31-27(24)22(26)5/h6-8,10,12-16H,9,11,17-18H2,1-5H3/b20-16+InChIKey
YBYOVABCHBEJMD-CAPFRKAQSA-NSynonyms
(Z)3benzyl7((37dimethylocta26dien1yl)oxy)48dimethyl2Hchromen2one
3benzyl7(((2E)37dimethylocta26dien1yl)oxy)48dimethyl2Hchromen2one
3BENZYL7((2E)37DIMETHYLOCTA26DIENOXY)48DIMETHYLCHROMEN2ONE
CC(=CCOc1ccc2c(c1C)oc(=O)c(c2C)Cc1ccccc1)CCC=C(C)C
CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC=C(C)CCC=C(C)C)CC3=CC=CC=C3
InChI=1SC28H32O3c119(2)1091120(3)1617302615142421(4)25(1823127681323)28(29)3127(24)22(26)5h68101216H9111718H215H3b2016+
MFCD03212561
ZINC000002139717
ZINC02139717
ZINC2139717
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