Vitas-M small molecule compound

(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3,5-dimethoxybenzoate

Catalog ID
STK625592
SMILES COc1cc(OC)cc(c1)C(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(c3c1cccc3)CC)/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 C29H25NO6 MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO6/c1-5-30-16-19(22-8-6-7-9-24(22)30)14-26-27(31)23-10-11-25(17(2)28(23)35-26)36-29(32)18-12-20(33-3)15-21(13-18)34-4/h6-16H,5H2,1-4H3/b26-14+
InChIKey
ROKRVNQNAUCXFP-VULFUBBASA-N
Synonyms
929512-24-3
((2E)2((1ethylindol3yl)methylidene)7methyl3oxo1benzofuran6yl)35dimethoxybenzoate
(2E)2((1ethyl1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl35dimethoxybenzoate
(E)2((1ethyl1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl35dimethoxybenzoate
2((1ETHYLINDOL3YL)METHYLENE)7METHYL3OXOBENZO(34B)FURAN6YL35DIMETHOXYBENZOATE
929512243
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OC(=O)C5=CC(=CC(=C5)OC)OC)C
COc1cc(OC)cc(c1)C(=O)Oc1ccc2c(c1C)OC(=Cc1cn(c3c1cccc3)CC)C2=O
InChI=1SC29H25NO6c15301619(22867924(22)30)142627(31)23101125(17(2)28(23)3526)3629(32)181220(333)1521(1318)344h616H5H214H3b2614+
MFCD09797698
ZINC000008993009
ZINC08993009
ZINC8993009

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Available files

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