Vitas-M small molecule compound
(2E)-6-acetyl-7,9-dihydroxy-2-(1-{[2-(methoxymethyl)-1H-benzimidazol-5-yl]amino}ethylidene)-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL551520
SMILES COCc1nc2c([nH]1)ccc(c2)N/C(=C/1\C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C
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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 C27H25N3O7 MW 503.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O7/c1-11-23(33)21(13(3)31)25-22(24(11)34)27(4)18(37-25)9-17(32)20(26(27)35)12(2)28-14-6-7-15-16(8-14)30-19(29-15)10-36-5/h6-9,28,33-34H,10H2,1-5H3,(H,29,30)/b20-12+InChIKey
UHLDPWCMOWKVFW-UDWIEESQSA-NSynonyms
(2~(E))6acetyl79dihydroxy2(1((2(methoxymethyl)3~(H)benzimidazol5yl)amino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E)6acetyl79dihydroxy2(1((2(methoxymethyl)1Hbenzimidazol5yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((2(methoxymethyl)1Hbenzo(d)imidazol6yl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
132285979
COCc1(nH)c2c(n1)ccc(c2)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C
InChI=1SC27H25N3O7c11123(33)21(13(3)31)2522(24(11)34)27(4)18(3725)917(32)20(26(27)35)12(2)2814671516(814)3019(2915)10365h69283334H10H215H3(H2930)b2012+
MFCD31758184
ZINC000604406381
ZINC000888089302
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.