Vitas-M small molecule compound
(12aS)-2-cyclooctyl-6-(3,4-dimethoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537188
SMILES COc1cc(ccc1OC)C1N2C(=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 C30H35N3O4 MW 501.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35N3O4/c1-36-25-15-14-19(16-26(25)37-2)29-28-22(21-12-8-9-13-23(21)31-28)17-24-30(35)32(18-27(34)33(24)29)20-10-6-4-3-5-7-11-20/h8-9,12-16,20,24,29,31H,3-7,10-11,17-18H2,1-2H3/t24-,29?/m0/s1InChIKey
IVHFPTXWBVYFNS-CTLOQAHHSA-NSynonyms
956942-76-0(12aS)2cyclooctyl6(34dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cyclooctyl6(34dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cyclooctyl2(34dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399845
956942760
COc1cc(ccc1OC)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCCC1
InChI=1SC30H35N3O4c13625151419(1626(25)372)292822(2112891323(21)3128)172430(35)32(1827(34)33(24)29)2010643571120h89121620242931H3710111718H212H3t2429?m0s1
MFCD04146047
ZINC000002104912
ZINC000002104914
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