Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-({2-[1-(propan-2-yl)-1H-benzimidazol-2-yl]ethyl}amino)ethylidene]dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL547100
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCc1nc2c(n1C(C)C)cccc2
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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 C30H31N3O6 MW 529.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31N3O6/c1-14(2)33-19-10-8-7-9-18(19)32-22(33)11-12-31-16(4)23-20(35)13-21-30(6,29(23)38)25-27(37)15(3)26(36)24(17(5)34)28(25)39-21/h7-10,13-14,31,36-37H,11-12H2,1-6H3/b23-16+/t30-/m0/s1InChIKey
NMDAMINNLKXFEV-TYZGFQJPSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(2(1propan2ylbenzimidazol2yl)ethylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((2(1(propan2yl)1Hbenzimidazol2yl)ethyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((2(1isopropyl1Hbenzo(d)imidazol2yl)ethyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
110205927
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCc1nc2c(n1C(C)C)cccc2
InChI=1SC30H31N3O6c114(2)33191087918(19)3222(33)11123116(4)2320(35)132130(629(23)38)2527(37)15(3)26(36)24(17(5)34)28(25)3921h7101314313637H1112H216H3b2316+t30m0s1
ZINC000253410594
ZINC253410594
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.