Vitas-M small molecule compound
(4aR)-8-acetyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-5,7-dihydroxy-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL551939
SMILES CCc1sc2c(c1)c(ncn2)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 C26H22N4O5S MW 502.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5S/c1-6-13-7-14-24(27-9-28-25(14)36-13)30-15-8-16-26(5,23(34)17(15)11(3)29-30)19-21(33)10(2)20(32)18(12(4)31)22(19)35-16/h7-9,32-33H,6H2,1-5H3/t26-/m0/s1InChIKey
JICFUPLADRXEBC-SANMLTNESA-NSynonyms
(4~(a)~(R))8acetyl1(6ethylthieno(23d)pyrimidin4yl)57dihydroxy34~(a)6trimethyl(1)benzofuro(32f)indazol4one
(4aR)8acetyl1(6ethylthieno(23d)pyrimidin4yl)57dihydroxy34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(R)8acetyl1(6ethylthieno(23d)pyrimidin4yl)57dihydroxy34a6trimethyl1Hbenzofuro(32f)indazol4(4aH)one
135640259
CCc1sc2c(c1)c(ncn2)n1nc(c2c1C=C1Oc3c((C@)1(C2=O)C)c(O)c(c(c3C(=O)C)O)C)C
InChI=1SC26H22N4O5Sc161371424(2792825(14)3613)301581626(523(34)17(15)11(3)2930)1921(33)10(2)20(32)18(12(4)31)22(19)3516h793233H6H215H3t26m0s1
ZINC001547138361
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