Vitas-M small molecule compound
methyl 4-[(12aS)-2-cyclohexyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-6-yl]benzoate
Catalog ID
STL457944
SMILES COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCC1
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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 C28H29N3O4 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O4/c1-35-28(34)18-13-11-17(12-14-18)26-25-21(20-9-5-6-10-22(20)29-25)15-23-27(33)30(16-24(32)31(23)26)19-7-3-2-4-8-19/h5-6,9-14,19,23,26,29H,2-4,7-8,15-16H2,1H3/t23-,26?/m0/s1InChIKey
KEAPVHBOQGQBOU-ZZHFZYNASA-NSynonyms
957000-86-14((12aS)2cyclohexyl14diketo671212atetrahydro3Hpyrazino(12b)$bcarbolin6yl)benzoicacidmethylester
957000861
COC(=O)C1=CC=C(C=C1)C2C3=C(CC4N2C(=O)CN(C4=O)C5CCCCC5)C6=CC=CC=C6N3
COC(=O)c1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCC1
InChI=1SC28H29N3O4c13528(34)18131117(121418)262521(209561022(20)2925)152327(33)30(1624(32)31(23)26)197324819h5691419232629H24781516H21H3t2326?m0s1
methyl4((12aS)2cyclohexyl14dioxo1234671212aoctahydropyrazino(1216)pyrido(34b)indol6yl)benzoate
MFCD03661456
ZINC000002095359
ZINC000002095361
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