Vitas-M small molecule compound
(4aR)-8-acetyl-1-(7-chloroquinolin-4-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551914
SMILES Clc1ccc2c(c1)nccc2n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)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 C27H20ClN3O5 MW 501.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClN3O5/c1-11-23(33)21(13(3)32)25-22(24(11)34)27(4)19(36-25)10-18-20(26(27)35)12(2)30-31(18)17-7-8-29-16-9-14(28)5-6-15(16)17/h5-10,33-34H,1-4H3/t27-/m0/s1InChIKey
IPAIFDSBUMWDIF-MHZLTWQESA-NSynonyms
(4~(a)~(R))8acetyl1(7chloroquinolin4yl)57dihydroxy34~(a)6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl1(7chloroquinolin4yl)57dihydroxy34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl1(7chloroquinolin4yl)57dihydroxy34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640237
Clc1ccc2c(c1)nccc2n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
InChI=1SC27H20ClN3O5c11123(33)21(13(3)32)2522(24(11)34)27(4)19(3625)101820(26(27)35)12(2)3031(18)17782916914(28)5615(16)17h5103334H14H3t27m0s1
ZINC001547138353
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