Vitas-M small molecule compound
(12aS)-2-cyclooctyl-6-(2-ethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537314
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCCCC1
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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 C30H35N3O3 MW 485.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O3/c1-2-36-26-17-11-9-15-22(26)29-28-23(21-14-8-10-16-24(21)31-28)18-25-30(35)32(19-27(34)33(25)29)20-12-6-4-3-5-7-13-20/h8-11,14-17,20,25,29,31H,2-7,12-13,18-19H2,1H3/t25-,29?/m0/s1InChIKey
FFTOQYCMHLSYDU-GMMLNUAGSA-NSynonyms
956974-35-9(12aS)2cyclooctyl6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclooctyl6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclooctyl2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400752
956974359
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCCC1
InChI=1SC30H35N3O3c123626171191522(26)292823(21148101624(21)3128)182530(35)32(1927(34)33(25)29)2012643571320h811141720252931H2712131819H21H3t2529?m0s1
MFCD05671936
ZINC000002111555
ZINC000002111556
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