Vitas-M small molecule compound
(12aS)-2-cycloheptyl-6-(4-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL547772
SMILES COc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCCCCC1
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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 C28H31N3O3 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3/c1-34-20-14-12-18(13-15-20)27-26-22(21-10-6-7-11-23(21)29-26)16-24-28(33)30(17-25(32)31(24)27)19-8-4-2-3-5-9-19/h6-7,10-15,19,24,27,29H,2-5,8-9,16-17H2,1H3/t24-,27?/m0/s1InChIKey
AZGPYFMJMLKULC-BXXZMZEQSA-NSynonyms
957004-19-2(12aS)2cycloheptyl6(4methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cycloheptyl6(4methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cycloheptyl2(4methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400889
957004192
COc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCC1
InChI=1SC28H31N3O3c13420141218(131520)272622(2110671123(21)2926)162428(33)30(1725(32)31(24)27)1984235919h67101519242729H25891617H21H3t2427?m0s1
MFCD05672194
ZINC000002112007
ZINC000002112008
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