Vitas-M small molecule compound
(12bS)-9-fluoro-12b-methyl-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537837
SMILES COc1cc(CN2CC(=O)N3[C@@](C2=O)(C)c2[nH]c4c(c2CC3)cc(cc4)F)cc(c1OC)OC
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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 C25H26FN3O5 MW 467.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26FN3O5/c1-25-23-16(17-11-15(26)5-6-18(17)27-23)7-8-29(25)21(30)13-28(24(25)31)12-14-9-19(32-2)22(34-4)20(10-14)33-3/h5-6,9-11,27H,7-8,12-13H2,1-4H3/t25-/m0/s1InChIKey
VBQDFEJVLUSWHD-VWLOTQADSA-NSynonyms
957022-91-2(12bS)9fluoro12bmethyl2(345trimethoxybenzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))13fluoro2methyl4((345trimethoxyphenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
(S)9fluoro12bmethyl2(345trimethoxybenzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
6570980
957022912
COc1cc(CN2CC(=O)N3(C@@)(C2=O)(C)c2(nH)c4c(c2CC3)cc(cc4)F)cc(c1OC)OC
InChI=1SC25H26FN3O5c1252316(171115(26)5618(17)2723)7829(25)21(30)1328(24(25)31)1214919(322)22(344)20(1014)333h5691127H781213H214H3t25m0s1
MFCD05671554
ZINC000008918265
ZINC8918265
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