Vitas-M small molecule compound
(2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate
Catalog ID
STK992961
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3)OC(=O)c1ccc(cc1)C)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 C27H21NO5 MW 439.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21NO5/c1-16-4-6-17(7-5-16)27(30)32-20-8-10-21-24(14-20)33-25(26(21)29)12-18-15-28(2)23-11-9-19(31-3)13-22(18)23/h4-15H,1-3H3/b25-12+InChIKey
IFUWCPPNCLLQCD-BRJLIKDPSA-NSynonyms
929380-19-8((2E)2((5methoxy1methylindol3yl)methylidene)3oxo1benzofuran6yl)4methylbenzoate
(2E)2((5methoxy1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6yl4methylbenzoate
(E)2((5methoxy1methyl1Hindol3yl)methylene)3oxo23dihydrobenzofuran6yl4methylbenzoate
2((5METHOXY1METHYLINDOL3YL)METHYLENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZOATE
929380198
CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CN(C5=C4C=C(C=C5)OC)C)O3
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3)OC(=O)c1ccc(cc1)C)cn2C
InChI=1SC27H21NO5c1164617(7516)27(30)32208102124(1420)3325(26(21)29)12181528(2)2311919(313)1322(18)23h415H13H3b2512+
MFCD09849132
ZINC000008993368
ZINC08993368
ZINC8993368
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