Vitas-M small molecule compound
(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-1-[4-(trifluoromethoxy)phenyl]-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551826
SMILES Cc1nn(c2c1C(=O)[C@]1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1ccc(cc1)OC(F)(F)F
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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 C25H19F3N2O6 MW 500.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19F3N2O6/c1-10-20(32)18(12(3)31)22-19(21(10)33)24(4)16(35-22)9-15-17(23(24)34)11(2)29-30(15)13-5-7-14(8-6-13)36-25(26,27)28/h5-9,32-33H,1-4H3/t24-/m0/s1InChIKey
VYPCVCOUMPHJRE-DEOSSOPVSA-NSynonyms
(4~(a)~(R))8acetyl57dihydroxy34~(a)6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
(4aR)8acetyl57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)1Hbenzofuro(32f)indazol4(4aH)one
132352451
Cc1nn(c2c1C(=O)(C@)1(C(=C2)Oc2c1c(O)c(c(c2C(=O)C)O)C)C)c1ccc(cc1)OC(F)(F)F
InChI=1SC25H19F3N2O6c11020(32)18(12(3)31)2219(21(10)33)24(4)16(3522)91517(23(24)34)11(2)2930(15)135714(8613)3625(2627)28h593233H14H3t24m0s1
ZINC000825292169
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