Vitas-M small molecule compound

(2Z)-2-[(1-ethyl-5-methoxy-1H-indol-3-yl)methylidene]-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-benzofuran-3(2H)-one

Catalog ID
STL035004
SMILES OCCN1CCN(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-QFEZKATASA-N
Synonyms

(2Z)2((1ethyl5methoxy1Hindol3yl)methylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3(2H)one
(2Z)2((1ethyl5methoxyindol3yl)methylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3one
(E)2((1ethyl5methoxy1Hindol3yl)methylene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)benzofuran3(2H)one
2((1ETHYL5METHOXYINDOL3YL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
InChI=1SC27H31N3O5c13301618(211519(342)4623(21)30)142526(33)205724(32)22(27(20)3525)172910828(91129)121331h4714163132H381317H212H3b2514
MFCD18191961
OCCN1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1cn(c3c1cc(OC)cc3)CC)C2=O
ZINC000028182826
ZINC28182826

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Available files

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