Vitas-M small molecule compound
(12bS)-7-(4-chlorophenyl)-12b-methyl-2-pentyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL533621
SMILES CCCCCN1CC(=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 C26H28ClN3O2 MW 449.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN3O2/c1-3-4-7-14-29-16-22(31)30-15-20(17-10-12-18(27)13-11-17)23-19-8-5-6-9-21(19)28-24(23)26(30,2)25(29)32/h5-6,8-13,20,28H,3-4,7,14-16H2,1-2H3/t20?,26-/m0/s1InChIKey
JCBNIGDJJIATDY-GHZUAHJPSA-NSynonyms
956999-62-5(12bS)7(4chlorophenyl)12bmethyl2pentyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4chlorophenyl)12bmethyl2pentyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4chlorophenyl)2methyl4pentyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16401974
956999625
CCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)Cl)cccc3
InChI=1SC26H28ClN3O2c134714291622(31)301520(17101218(27)131117)2319856921(19)2824(23)26(302)25(29)32h568132028H3471416H212H3t20?26m0s1
MFCD06492617
ZINC000012872821
ZINC000012872830
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