Vitas-M small molecule compound
(2E,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({2-[(2-hydroxyethyl)amino]-5-(4H-1,2,4-triazol-4-yl)phenyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL551167
SMILES OCCNc1ccc(cc1N/C(=C/1\C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)n1cnnc1
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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 C28H27N5O7 MW 545.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O7/c1-13-24(37)22(15(3)35)26-23(25(13)38)28(4)20(40-26)10-19(36)21(27(28)39)14(2)32-18-9-16(33-11-30-31-12-33)5-6-17(18)29-7-8-34/h5-6,9-12,29,32,34,37-38H,7-8H2,1-4H3/b21-14+/t28-/m0/s1InChIKey
VFFCTIVBCHNENZ-BSKIJULFSA-NSynonyms
(2~(E)9~(b)~(R))6acetyl79dihydroxy2(1(2(2hydroxyethylamino)5(124triazol4yl)anilino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2E9bR)6acetyl79dihydroxy2(1((2((2hydroxyethyl)amino)5(4H124triazol4yl)phenyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RE)6acetyl79dihydroxy2(1((2((2hydroxyethyl)amino)5(4H124triazol4yl)phenyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
132352485
InChI=1SC28H27N5O7c11324(37)22(15(3)35)2623(25(13)38)28(4)20(4026)1019(36)21(27(28)39)14(2)3218916(331130311233)5617(18)297834h569122932343738H78H214H3b2114+t28m0s1
OCCNc1ccc(cc1NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)n1cnnc1
ZINC000828767799
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.