Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-2-(2-hydroxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529076
SMILES OCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)CC)cccc3
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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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-3-16-8-10-17(11-9-16)19-14-28-21(30)15-27(12-13-29)24(31)25(28,2)23-22(19)18-6-4-5-7-20(18)26-23/h4-11,19,26,29H,3,12-15H2,1-2H3/t19?,25-/m0/s1InChIKey
BKMLWUBYIIEORO-BIAFCPFJSA-NSynonyms
956995-21-4(12bS)7(4ethylphenyl)2(2hydroxyethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)2(2hydroxyethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)4(2hydroxyethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403472
956995214
InChI=1SC25H27N3O3c131681017(11916)19142821(30)1527(121329)24(31)25(282)2322(19)18645720(18)2623h411192629H31215H212H3t19?25m0s1
MFCD06495865
OCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)CC)cccc3
ZINC000004084127
ZINC000004084128
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