Vitas-M small molecule compound
(4aR)-8-acetyl-1-(1,3-benzothiazol-2-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL552254
SMILES Cc1c(O)c(C(=O)C)c2c(c1O)[C@]1(C)C(=Cc3c(C1=O)c(C)nn3c1nc3c(s1)cccc3)O2
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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 C25H19N3O5S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O5S/c1-10-20(30)18(12(3)29)22-19(21(10)31)25(4)16(33-22)9-14-17(23(25)32)11(2)27-28(14)24-26-13-7-5-6-8-15(13)34-24/h5-9,30-31H,1-4H3/t25-/m0/s1InChIKey
OBRXXYMCCULAMJ-VWLOTQADSA-NSynonyms
(4~(a)~(R))8acetyl1(13benzothiazol2yl)57dihydroxy34~(a)6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl1(13benzothiazol2yl)57dihydroxy34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl1(benzo(d)thiazol2yl)57dihydroxy34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
132352073
Cc1c(O)c(C(=O)C)c2c(c1O)(C@)1(C)C(=Cc3c(C1=O)c(C)nn3c1nc3c(s1)cccc3)O2
InChI=1SC25H19N3O5Sc11020(30)18(12(3)29)2219(21(10)31)25(4)16(3322)91417(23(25)32)11(2)2728(14)242613756815(13)3424h593031H14H3t25m0s1
ZINC000825115686
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