Vitas-M small molecule compound
(4aR)-8-[1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl]-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
STL561878
SMILES Oc1c(C)c(O)c(c2c1[C@]1(C)C(=Cc3c(C1=O)c(C)nn3c1ccc(cc1)OC(F)(F)F)O2)c1ccc2c(n1)n(Cc1ccco1)c(=O)nc2O
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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 C35H24F3N5O8 MW 699.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H24F3N5O8/c1-15-27(44)25(21-11-10-20-31(39-21)42(33(48)40-32(20)47)14-19-5-4-12-49-19)29-26(28(15)45)34(3)23(50-29)13-22-24(30(34)46)16(2)41-43(22)17-6-8-18(9-7-17)51-35(36,37)38/h4-13,44-45H,14H2,1-3H3,(H,40,47,48)/t34-/m0/s1InChIKey
YRKOJMRRTUGZJD-UMSFTDKQSA-NSynonyms
(4aR)8(1(furan2ylmethyl)4hydroxy2oxo12dihydropyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)8(1(furan2ylmethyl)4hydroxy2oxopyrido(23d)pyrimidin7yl)57dihydroxy34a6trimethyl1(4(trifluoromethoxy)phenyl)(1)benzofuro(32f)indazol4one
145705232
InChI=1SC35H24F3N5O8c11527(44)25(2111102031(3921)42(33(48)4032(20)47)141954124919)2926(28(15)45)34(3)23(5029)132224(30(34)46)16(2)4143(22)176818(9717)5135(3637)38h4134445H14H213H3(H404748)t34m0s1
MFCD32650938
ZINC001848443194
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