Vitas-M small molecule compound
ethyl 3-{6-chloro-4-methyl-2-oxo-7-[(pentamethylbenzyl)oxy]-2H-chromen-3-yl}propanoate
Catalog ID
STL226387
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)cc(c(c2)OCc1c(C)c(C)c(c(c1C)C)C)Cl
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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 C27H31ClO5 MW 470.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClO5/c1-8-31-26(29)10-9-20-19(7)21-11-23(28)25(12-24(21)33-27(20)30)32-13-22-17(5)15(3)14(2)16(4)18(22)6/h11-12H,8-10,13H2,1-7H3InChIKey
YVINOANYVAHTKL-UHFFFAOYSA-NSynonyms
840479-86-9840479869
CCOC(=O)CCC1=C(C2=CC(=C(C=C2OC1=O)OCC3=C(C(=C(C(=C3C)C)C)C)C)Cl)C
ethyl3(6chloro4methyl2oxo7((23456pentamethylbenzyl)oxy)2Hchromen3yl)propanoate
ethyl3(6chloro4methyl2oxo7((23456pentamethylphenyl)methoxy)chromen3yl)propanoate
ethyl3(6chloro4methyl2oxo7((pentamethylbenzyl)oxy)2Hchromen3yl)propanoate
InChI=1SC27H31ClO5c183126(29)1092019(7)211123(28)25(1224(21)3327(20)30)32132217(5)15(3)14(2)16(4)18(22)6h1112H81013H217H3
MFCD04006727
ZINC000002263901
ZINC02263901
ZINC2263901
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