Vitas-M small molecule compound
(2Z,9bR)-6-acetyl-7,9-dihydroxy-2-[1-({5-[2-(2-hydroxyethyl)-2H-tetrazol-5-yl]-2-methoxyphenyl}amino)ethylidene]-8,9b-dimethyldibenzo[b,d]furan-1,3(2H,9bH)-dione
Catalog ID
STL550560
SMILES OCCn1nnc(n1)c1ccc(c(c1)N/C(=C\1/C(=O)C=C2[C@@](C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C)OC
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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 C28H27N5O8 MW 561.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N5O8/c1-12-23(37)21(14(3)35)25-22(24(12)38)28(4)19(41-25)11-17(36)20(26(28)39)13(2)29-16-10-15(6-7-18(16)40-5)27-30-32-33(31-27)8-9-34/h6-7,10-11,29,34,37-38H,8-9H2,1-5H3/b20-13-/t28-/m0/s1InChIKey
TVSGJAHJCOUVBM-JYJPONOESA-NSynonyms
(2~(Z)9~(b)~(R))6acetyl79dihydroxy2(1(5(2(2hydroxyethyl)tetrazol5yl)2methoxyanilino)ethylidene)89~(b)dimethyldibenzofuran13dione
(2Z9bR)6acetyl79dihydroxy2(1((5(2(2hydroxyethyl)2Htetrazol5yl)2methoxyphenyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
(RZ)6acetyl79dihydroxy2(1((5(2(2hydroxyethyl)2Htetrazol5yl)2methoxyphenyl)amino)ethylidene)89bdimethyldibenzo(bd)furan13(2H9bH)dione
132351982
InChI=1SC28H27N5O8c11223(37)21(14(3)35)2522(24(12)38)28(4)19(4125)1117(36)20(26(28)39)13(2)29161015(6718(16)405)27303233(3127)8934h67101129343738H89H215H3b2013t28m0s1
OCCn1nnc(n1)c1ccc(c(c1)NC(=C1C(=O)C=C2(C@@)(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)C)OC
ZINC000828778517
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.