Vitas-M small molecule compound
(12aS)-2-cyclopentyl-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL540557
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCC1
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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 C27H29N3O3 MW 443.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3/c1-2-33-23-14-8-6-12-19(23)26-25-20(18-11-5-7-13-21(18)28-25)15-22-27(32)29(16-24(31)30(22)26)17-9-3-4-10-17/h5-8,11-14,17,22,26,28H,2-4,9-10,15-16H2,1H3/t22-,26?/m0/s1InChIKey
INHSXHCUPIJEBK-CHQVSRGASA-NSynonyms
956942-16-8(12aS)2cyclopentyl6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclopentyl6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclopentyl2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400765
956942168
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCC1
InChI=1SC27H29N3O3c12332314861219(23)262520(1811571321(18)2825)152227(32)29(1624(31)30(22)26)179341017h58111417222628H249101516H21H3t2226?m0s1
MFCD05671966
ZINC000002111617
ZINC000002111619
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