Vitas-M small molecule compound

(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({3-[1-(2-methylpropyl)-1H-benzimidazol-2-yl]propyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione

Catalog ID
STL549145
SMILES CC(Cn1c(CCCN/C(=C/2\C(=O)C=C3[C@@](C2=O)(C)c2c(O)c(C)c(c(c2O3)C(=O)C)O)/C)nc2c1cccc2)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 C32H35N3O6 MW 557.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O6/c1-16(2)15-35-21-11-8-7-10-20(21)34-24(35)12-9-13-33-18(4)25-22(37)14-23-32(6,31(25)40)27-29(39)17(3)28(38)26(19(5)36)30(27)41-23/h7-8,10-11,14,16,33,38-39H,9,12-13,15H2,1-6H3/b25-18+/t32-/m0/s1
InChIKey
RNDCRZINZIKNMM-CWYWUFEUSA-N
Synonyms

(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(3(1(2methylpropyl)benzimidazol2yl)propylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((3(1(2methylpropyl)1Hbenzimidazol2yl)propyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((3(1isobutyl1Hbenzo(d)imidazol2yl)propyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110207215
CC(Cn1c(CCCNC(=C2C(=O)C=C3(C@@)(C2=O)(C)c2c(O)c(C)c(c(c2O3)C(=O)C)O)C)nc2c1cccc2)C
InChI=1SC32H35N3O6c116(2)15352111871020(21)3424(35)129133318(4)2522(37)142332(631(25)40)2729(39)17(3)28(38)26(19(5)36)30(27)4123h7810111416333839H9121315H216H3b2518+t32m0s1
ZINC000253412613
ZINC253412613

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.