Vitas-M small molecule compound
(2E)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(5-methoxy-1-methyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK629461
SMILES CCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cc(OC)cc3)C)/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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-4-28-9-11-29(12-10-28)16-21-23(30)8-6-19-25(31)24(33-26(19)21)13-17-15-27(2)22-7-5-18(32-3)14-20(17)22/h5-8,13-15,30H,4,9-12,16H2,1-3H3/b24-13+InChIKey
PXAKFQLECZAJBQ-ZMOGYAJESA-NSynonyms
951997-60-7(2E)7((4ethylpiperazin1ium1yl)methyl)2((5methoxy1methyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((4ethylpiperazin1yl)methyl)6hydroxy2((5methoxy1methylindol3yl)methylidene)1benzofuran3one
951997607
CCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)C)C2=O
CCN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=C4C=C(C=C5)OC)C)C3=O)O
InChI=1SC26H29N3O4c142891129(121028)162123(30)861925(31)24(3326(19)21)13171527(2)227518(323)1420(17)22h58131530H491216H213H3b2413+
MFCD09852783
ZINC000022935530
ZINC22935530
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