Vitas-M small molecule compound
(2E)-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-7-[(2-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629582
SMILES COc1ccc2c(c1)c(/C=C\1/Oc3c(C1=O)ccc(c3C[NH+]1CCCCC1C)[O-])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 C26H28N2O4 MW 432.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O4/c1-16-6-4-5-11-28(16)15-21-23(29)10-8-19-25(30)24(32-26(19)21)12-17-14-27(2)22-9-7-18(31-3)13-20(17)22/h7-10,12-14,16,29H,4-6,11,15H2,1-3H3/b24-12+InChIKey
NGWANGCPNJXOSG-WYMPLXKRSA-NSynonyms
929398-04-9(2E)2((5methoxy1methyl1Hindol3yl)methylidene)7((2methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)6hydroxy2((5methoxy1methylindol3yl)methylidene)7((2methylpiperidin1yl)methyl)1benzofuran3one
929398049
COc1ccc2c(c1)c(C=C1Oc3c(C1=O)ccc(c3C(NH+)1CCCCC1C)(O))cn2C
InChI=1SC26H28N2O4c1166451128(16)152123(29)1081925(30)24(3226(19)21)12171427(2)229718(313)1320(17)22h71012141629H461115H213H3b2412+
MFCD09797026
ZINC000020650911
ZINC000020650915
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