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 3,4-dimethoxybenzoate
Catalog ID
STK992962
SMILES COc1cc(ccc1OC)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(20-8-6-7-9-22(20)30)15-26-27(31)21-11-13-23(17(2)28(21)35-26)36-29(32)18-10-12-24(33-3)25(14-18)34-4/h6-16H,5H2,1-4H3/b26-15+InChIKey
BKXDWITYHVLEDD-CVKSISIWSA-NSynonyms
929417-92-5((2E)2((1ethylindol3yl)methylidene)7methyl3oxo1benzofuran6yl)34dimethoxybenzoate
(2E)2((1ethyl1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl34dimethoxybenzoate
(E)2((1ethyl1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl34dimethoxybenzoate
2((1ETHYLINDOL3YL)METHYLENE)7METHYL3OXOBENZO(34B)FURAN6YL34DIMETHOXYBENZOATE
929417925
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OC(=O)C5=CC(=C(C=C5)OC)OC)C
COc1cc(ccc1OC)C(=O)Oc1ccc2c(c1C)OC(=Cc1cn(c3c1cccc3)CC)C2=O
InChI=1SC29H25NO6c15301619(20867922(20)30)152627(31)21111323(17(2)28(21)3526)3629(32)18101224(333)25(1418)344h616H5H214H3b2615+
MFCD09847882
ZINC000008991076
ZINC08991076
ZINC8991076
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