Vitas-M small molecule compound
(12bS)-7-(4-chlorophenyl)-2-(5-hydroxypentyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528715
SMILES OCCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)Cl)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 C26H28ClN3O3 MW 465.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN3O3/c1-26-24-23(19-7-3-4-8-21(19)28-24)20(17-9-11-18(27)12-10-17)15-30(26)22(32)16-29(25(26)33)13-5-2-6-14-31/h3-4,7-12,20,28,31H,2,5-6,13-16H2,1H3/t20?,26-/m0/s1InChIKey
YWFYBHROXOHVSL-GHZUAHJPSA-NSynonyms
956951-70-5(12bS)7(4chlorophenyl)2(5hydroxypentyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4chlorophenyl)2(5hydroxypentyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4chlorophenyl)4(5hydroxypentyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16401992
956951705
InChI=1SC26H28ClN3O3c1262423(19734821(19)2824)20(1791118(27)121017)1530(26)22(32)1629(25(26)33)135261431h34712202831H2561316H21H3t20?26m0s1
MFCD06492657
OCCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)Cl)cccc3
ZINC000012872966
ZINC000012872974
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