Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-1-(3-methylquinoxalin-2-yl)-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551821
SMILES Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1nc2ccccc2nc1C
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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 C27H22N4O5 MW 482.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5/c1-11-22(33)20(14(4)32)24-21(23(11)34)27(5)18(36-24)10-17-19(25(27)35)12(2)30-31(17)26-13(3)28-15-8-6-7-9-16(15)29-26/h6-10,33-34H,1-5H3/t27-/m0/s1InChIKey
LRBBCMFWOXFKDJ-MHZLTWQESA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy34~(a)6trimethyl1(3methylquinoxalin2yl)(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy34a6trimethyl1(3methylquinoxalin2yl)14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl57dihydroxy34a6trimethyl1(3methylquinoxalin2yl)1Hbenzofuro(32f)indazol4(4aH)one
135640161
Cc1nn(c2c1C(=O)(C@)1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1nc2ccccc2nc1C
InChI=1SC27H22N4O5c11122(33)20(14(4)32)2421(23(11)34)27(5)18(3624)101719(25(27)35)12(2)3031(17)2613(3)2815867916(15)2926h6103334H15H3t27m0s1
ZINC001547139192
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