Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-(1-{[5-(1-methyl-1H-benzimidazol-2-yl)pentyl]amino}ethylidene)dibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL548045
SMILES C/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/NCCCCCc1nc2c(n1C)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 C31H33N3O6 MW 543.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33N3O6/c1-16-27(37)25(18(3)35)29-26(28(16)38)31(4)22(40-29)15-21(36)24(30(31)39)17(2)32-14-10-6-7-13-23-33-19-11-8-9-12-20(19)34(23)5/h8-9,11-12,15,32,37-38H,6-7,10,13-14H2,1-5H3/b24-17+/t31-/m0/s1InChIKey
CGBIBPWQURIZKW-RZMWZYTASA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy89~(b)dimethyl2(1(5(1methylbenzimidazol2yl)pentylamino)ethylidene)dibenzofuran13dione
(2E9bR)6acetyl79dihydroxy89bdimethyl2(1((5(1methyl1Hbenzimidazol2yl)pentyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy89bdimethyl2(1((5(1methyl1Hbenzo(d)imidazol2yl)pentyl)amino)ethylidene)dibenzo(bd)furan13(2H9bH)dione
110207465
CC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)NCCCCCc1nc2c(n1C)cccc2
InChI=1SC31H33N3O6c11627(37)25(18(3)35)2926(28(16)38)31(4)22(4029)1521(36)24(30(31)39)17(2)321410671323331911891220(19)34(23)5h89111215323738H67101314H215H3b2417+t31m0s1
ZINC000253398670
ZINC253398670
Check stock
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.