Vitas-M small molecule compound

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

Catalog ID
STK623992
SMILES CCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cc(OC)cc3)C)/C2=O)CCC

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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 C26H30N2O4 MW 434.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O4/c1-5-11-28(12-6-2)16-21-23(29)10-8-19-25(30)24(32-26(19)21)13-17-15-27(3)22-9-7-18(31-4)14-20(17)22/h7-10,13-15,29H,5-6,11-12,16H2,1-4H3/b24-13+
InChIKey
CWPWWNGWKLOONA-ZMOGYAJESA-N
Synonyms
929379-51-1
(2E)7((dipropylamino)methyl)6hydroxy2((5methoxy1methylindol3yl)methylidene)1benzofuran3one
(2E)7((dipropylammonio)methyl)2((5methoxy1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
929379511
CCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)C)C2=O)CCC
CCCN(CCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=C3C=C(C=C4)OC)C)C2=O)O
InChI=1SC26H30N2O4c151128(1262)162123(29)1081925(30)24(3226(19)21)13171527(3)229718(314)1420(17)22h710131529H56111216H214H3b2413+
MFCD09796246
ZINC000020647124
ZINC20647124

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Available files

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