Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-1-(4-methylquinolin-2-yl)-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552030
SMILES Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1cc(C)c2c(n1)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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-12-10-20(29-17-9-7-6-8-16(12)17)31-18-11-19-28(5,27(35)21(18)14(3)30-31)23-25(34)13(2)24(33)22(15(4)32)26(23)36-19/h6-11,33-34H,1-5H3/t28-/m0/s1InChIKey
LUHORQLLAVKRPG-NDEPHWFRSA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy34~(a)6trimethyl1(4methylquinolin2yl)(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy34a6trimethyl1(4methylquinolin2yl)14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl57dihydroxy34a6trimethyl1(4methylquinolin2yl)1Hbenzofuro(32f)indazol4(4aH)one
135640335
Cc1nn(c2c1C(=O)(C@)1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1cc(C)c2c(n1)cccc2
InChI=1SC28H23N3O5c1121020(2917976816(12)17)3118111928(527(35)21(18)14(3)3031)2325(34)13(2)24(33)22(15(4)32)26(23)3619h6113334H15H3t28m0s1
ZINC001547138448
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