Vitas-M small molecule compound
(4aR)-8-(1-benzyl-4-hydroxy-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl)-5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Catalog ID
STL561574
SMILES COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3c1ccc2c(n1)n(Cc1ccccc1)c(=O)nc2O)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 C37H29N5O7 MW 655.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H29N5O7/c1-18-30(43)28(24-15-14-23-34(38-24)41(36(47)39-35(23)46)17-20-8-6-5-7-9-20)32-29(31(18)44)37(3)26(49-32)16-25-27(33(37)45)19(2)40-42(25)21-10-12-22(48-4)13-11-21/h5-16,43-44H,17H2,1-4H3,(H,39,46,47)/t37-/m0/s1InChIKey
AIAGHQSBWOWNSP-QNGWXLTQSA-NSynonyms
(4aR)8(1benzyl4hydroxy2oxo12dihydropyrido(23d)pyrimidin7yl)57dihydroxy1(4methoxyphenyl)34a6trimethyl14adihydro4H(1)benzofuro(32f)indazol4one
(4aR)8(1benzyl4hydroxy2oxopyrido(23d)pyrimidin7yl)57dihydroxy1(4methoxyphenyl)34a6trimethyl(1)benzofuro(32f)indazol4one
145704931
InChI=1SC37H29N5O7c11830(43)28(2415142334(3824)41(36(47)3935(23)46)17208657920)3229(31(18)44)37(3)26(4932)162527(33(37)45)19(2)4042(25)21101222(484)131121h5164344H17H214H3(H394647)t37m0s1
MFCD32650639
ZINC001848442547
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