Vitas-M small molecule compound

(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate

Catalog ID
STL033263
SMILES Cc1ccc(cc1)C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O

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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 C27H20O5 MW 424.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20O5/c1-16-7-9-18(10-8-16)27(29)31-21-11-12-22-24(15-21)32-25(26(22)28)14-20-13-19-5-3-4-6-23(19)30-17(20)2/h3-15,17H,1-2H3/b25-14-
InChIKey
IGQOEVRXKFJAQC-QFEZKATASA-N
Synonyms
859661-35-1
((2Z)2((2METHYL2HCHROMEN3YL)METHYLIDENE)3OXO1BENZOFURAN6YL)4METHYLBENZOATE
(2Z)2((2methyl2Hchromen3yl)methylidene)3oxo23dihydro1benzofuran6yl4methylbenzoate
(Z)2((2methyl2Hchromen3yl)methylene)3oxo23dihydrobenzofuran6yl4methylbenzoate
2((2METHYL(2HCHROMEN3YL))METHYLENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZOATE
859661351
CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)C4=C(O3)C=C(C=C4)OC(=O)C5=CC=C(C=C5)C
Cc1ccc(cc1)C(=O)Oc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1C)C2=O
InChI=1SC27H20O5c1167918(10816)27(29)312111122224(1521)3225(26(22)28)14201319534623(19)3017(20)2h31517H12H3b2514
MFCD06493929
ZINC000008788875
ZINC000008788877

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Available files

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