Vitas-M small molecule compound
(2Z)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-6-hydroxy-7-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-1-benzofuran-3(2H)-one
Catalog ID
STL035019
SMILES OCCN1CCN(CC1)Cc1c(O)ccc2c1O/C(=C\c1cn(c3c1cccc3)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 C26H29N3O4 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O4/c1-2-29-16-18(19-5-3-4-6-22(19)29)15-24-25(32)20-7-8-23(31)21(26(20)33-24)17-28-11-9-27(10-12-28)13-14-30/h3-8,15-16,30-31H,2,9-14,17H2,1H3/b24-15-InChIKey
MERTWUWFODJFPG-IWIPYMOSSA-NSynonyms
(2Z)2((1ethyl1Hindol3yl)methylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3(2H)one
(2Z)2((1ethylindol3yl)methylidene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)1benzofuran3one
(E)2((1ethyl1Hindol3yl)methylene)6hydroxy7((4(2hydroxyethyl)piperazin1yl)methyl)benzofuran3(2H)one
2((1ETHYLINDOL3YL)METHYLENE)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)BENZO(B)FURAN3ONE
InChI=1SC26H29N3O4c12291618(19534622(19)29)152425(32)207823(31)21(26(20)3324)172811927(101228)131430h3815163031H291417H21H3b2415
MFCD18191972
OCCN1CCN(CC1)Cc1c(O)ccc2c1OC(=Cc1cn(c3c1cccc3)CC)C2=O
ZINC000028182855
ZINC28182855
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