Vitas-M small molecule compound
(2E,9bR)-6-acetyl-2-(1-{[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]amino}ethylidene)-7,9-dihydroxy-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL546849
SMILES O=C1C=C2Oc3c([C@]2(C(=O)/C/1=C(/N[C@H](c1nc2c([nH]1)cccc2)C(C)C)\C)C)c(O)c(c(c3C(=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 C29H29N3O6 MW 515.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6/c1-12(2)23(28-31-16-9-7-8-10-17(16)32-28)30-14(4)20-18(34)11-19-29(6,27(20)37)22-25(36)13(3)24(35)21(15(5)33)26(22)38-19/h7-12,23,30,35-36H,1-6H3,(H,31,32)/b20-14+/t23-,29-/m0/s1InChIKey
QFKBKICPSSJRQC-YFVREMBTSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl2(1(((1~(S))1(1~(H)benzimidazol2yl)2methylpropyl)amino)ethylidene)79dihydroxy89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl2(1(((1S)1(1Hbenzimidazol2yl)2methylpropyl)amino)ethylidene)79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)2(1(((S)1(1Hbenzo(d)imidazol2yl)2methylpropyl)amino)ethylidene)6acetyl79dihydroxy89bdimethyldibenzo(bd)furan13(2H9bH)dione
121541140
InChI=1SC29H29N3O6c112(2)23(2831169781017(16)3228)3014(4)2018(34)111929(627(20)37)2225(36)13(3)24(35)21(15(5)33)26(22)3819h71223303536H16H3(H3132)b2014+t2329m0s1
O=C1C=C2Oc3c((C@)2(C(=O)C1=C(N(C@H)(c1nc2c((nH)1)cccc2)C(C)C)C)C)c(O)c(c(c3C(=O)C)O)C
ZINC000263586107
ZINC263586107
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.