Vitas-M small molecule compound
(4aR)-5,7-dihydroxy-8-(4-hydroxy-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl)-3,4a,6-trimethyl-1-phenyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552321
SMILES Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(C)c(c2c1ccc2c(n1)[nH]c(=O)nc2O)O)C)c1ccccc1
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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 C29H21N5O6 MW 535.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N5O6/c1-12-22(35)20(16-10-9-15-26(30-16)31-28(39)32-27(15)38)24-21(23(12)36)29(3)18(40-24)11-17-19(25(29)37)13(2)33-34(17)14-7-5-4-6-8-14/h4-11,35-36H,1-3H3,(H2,30,31,32,38,39)/t29-/m0/s1InChIKey
USIIAWNQWGTFMO-LJAQVGFWSA-NSynonyms
(4aR)57dihydroxy8(4hydroxy2oxo12dihydropyrido(23d)pyrimidin7yl)34a6trimethyl1phenyl14adihydro4H(1)benzofuro(32f)indazol4one
135640578
7((4~(a)~(R))57dihydroxy34~(a)6trimethyl4oxo1phenyl(1)benzofuro(32f)indazol8yl)1~(H)pyrido(23d)pyrimidine24dione
InChI=1SC29H21N5O6c11222(35)20(161091526(3016)3128(39)3227(15)38)2421(23(12)36)29(3)18(4024)111719(25(29)37)13(2)3334(17)147546814h4113536H13H3(H23031323839)t29m0s1
ZINC001547208606
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