Vitas-M small molecule compound
4-[(4aR)-8-acetyl-5,7-dihydroxy-3,4a,6-trimethyl-4-oxo-4,4a-dihydro-1H-[1]benzofuro[3,2-f]indazol-1-yl]benzoic acid
Catalog ID
STL552259
SMILES OC(=O)c1ccc(cc1)n1nc(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 C25H20N2O7 MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O7/c1-10-20(29)18(12(3)28)22-19(21(10)30)25(4)16(34-22)9-15-17(23(25)31)11(2)26-27(15)14-7-5-13(6-8-14)24(32)33/h5-9,29-30H,1-4H3,(H,32,33)/t25-/m0/s1InChIKey
AKUILIKFHHXNNL-VWLOTQADSA-NSynonyms
(R)4(8acetyl57dihydroxy34a6trimethyl4oxo44adihydro1Hbenzofuro(32f)indazol1yl)benzoicacid
132352323
4((4~(a)~(R))8acetyl57dihydroxy34~(a)6trimethyl4oxo(1)benzofuro(32f)indazol1yl)benzoicacid
4((4aR)8acetyl57dihydroxy34a6trimethyl4oxo44adihydro1H(1)benzofuro(32f)indazol1yl)benzoicacid
InChI=1SC25H20N2O7c11020(29)18(12(3)28)2219(21(10)30)25(4)16(3422)91517(23(25)31)11(2)2627(15)147513(6814)24(32)33h592930H14H3(H3233)t25m0s1
OC(=O)c1ccc(cc1)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
ZINC000828558834
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