Vitas-M small molecule compound
(2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl cyclohexanecarboxylate
Catalog ID
STK992995
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C)OC(=O)C1CCCCC1)cn2C
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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 C27H27NO5 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO5/c1-16-23(33-27(30)17-7-5-4-6-8-17)12-10-20-25(29)24(32-26(16)20)13-18-15-28(2)22-11-9-19(31-3)14-21(18)22/h9-15,17H,4-8H2,1-3H3/b24-13+InChIKey
ZFISQKDUXOBPSZ-ZMOGYAJESA-NSynonyms
929380-38-1((2E)2((5methoxy1methylindol3yl)methylidene)7methyl3oxo1benzofuran6yl)cyclohexanecarboxylate
(2E)2((5methoxy1methyl1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6ylcyclohexanecarboxylate
(E)2((5methoxy1methyl1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6ylcyclohexanecarboxylate
2((5METHOXY1METHYLINDOL3YL)METHYLENE)7METHYL3OXOBENZO(34B)FURAN6YLCYCLOHEXANECARBOXYLATE
929380381
CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)C)C2=O)OC(=O)C5CCCCC5
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C)OC(=O)C1CCCCC1)cn2C
InChI=1SC27H27NO5c11623(3327(30)177546817)12102025(29)24(3226(16)20)13181528(2)2211919(313)1421(18)22h91517H48H213H3b2413+
MFCD09844589
ZINC000009422045
ZINC09422045
ZINC9422045
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.