Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({2-[2-(1-hydroxyethyl)-1H-benzimidazol-1-yl]ethyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL549234
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCn1c(nc2c1cccc2)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 C29H29N3O7 MW 531.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O7/c1-13-24(36)22(15(3)33)26-23(25(13)37)29(5)20(39-26)12-19(35)21(27(29)38)14(2)30-10-11-32-18-9-7-6-8-17(18)31-28(32)16(4)34/h6-9,12,16,30,34,36-37H,10-11H2,1-5H3/b21-14+/t16?,29-/m0/s1InChIKey
DOSNWMQUQPEPMD-FWTFWNHISA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(2(2(1hydroxyethyl)benzimidazol1yl)ethylamino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2(2(1hydroxyethyl)1Hbenzimidazol1yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(9bRE)6acetyl79dihydroxy2(1((2(2(1hydroxyethyl)1Hbenzo(d)imidazol1yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110206834
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCn1c(nc2c1cccc2)C(O)C
InChI=1SC29H29N3O7c11324(36)22(15(3)33)2623(25(13)37)29(5)20(3926)1219(35)21(27(29)38)14(2)3010113218976817(18)3128(32)16(4)34h69121630343637H1011H215H3b2114+t16?29m0s1
ZINC000253400011
ZINC000253400015
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.