Vitas-M small molecule compound
(12bS)-9-methoxy-12b-methyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL542361
SMILES COc1ccc2c(c1)c1CCN3[C@](c1[nH]2)(C)C(=O)N(CC3=O)Cc1cccnc1
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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 C22H22N4O3 MW 390.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3/c1-22-20-16(17-10-15(29-2)5-6-18(17)24-20)7-9-26(22)19(27)13-25(21(22)28)12-14-4-3-8-23-11-14/h3-6,8,10-11,24H,7,9,12-13H2,1-2H3/t22-/m0/s1InChIKey
KWHVDANONXERKI-QFIPXVFZSA-NSynonyms
956213-01-7(12bS)9methoxy12bmethyl2(pyridin3ylmethyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))13methoxy2methyl4(pyridin3ylmethyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)11(16)1214tetraene36dione
(S)9methoxy12bmethyl2(pyridin3ylmethyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
6570819
956213017
COc1ccc2c(c1)c1CCN3(C@)(c1(nH)2)(C)C(=O)N(CC3=O)Cc1cccnc1
InChI=1SC22H22N4O3c1222016(171015(292)5618(17)2420)7926(22)19(27)1325(21(22)28)1214438231114h368101124H791213H212H3t22m0s1
MFCD05671385
ZINC000003999959
ZINC3999959
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