Vitas-M small molecule compound

(2E)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK625926
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cc(OC)cc3)CC)/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 C27H31N3O5 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O5/c1-3-30-16-18(21-15-19(34-2)4-6-23(21)30)14-25-26(33)20-5-7-24(32)22(27(20)35-25)17-29-10-8-28(9-11-29)12-13-31/h4-7,14-16,31-32H,3,8-13,17H2,1-2H3/b25-14+
InChIKey
DOPSJBDLIUICJE-AFUMVMLFSA-N
Synonyms
929512-67-4
(2E)2((1ethyl5methoxy1Hindol3yl)methylidene)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3one
929512674
CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)CN5CCN(CC5)CCO
InChI=1SC27H31N3O5c13301618(211519(342)4623(21)30)142526(33)205724(32)22(27(20)3525)172910828(91129)121331h4714163132H381317H212H3b2514+
MFCD09793313
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)CC)C2=O
ZINC000020649929
ZINC20649929

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Available files

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