Vitas-M small molecule compound
(12aS)-2-cycloheptyl-6-(3-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL536804
SMILES COc1cccc(c1)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/c1-34-20-12-8-9-18(15-20)27-26-22(21-13-6-7-14-23(21)29-26)16-24-28(33)30(17-25(32)31(24)27)19-10-4-2-3-5-11-19/h6-9,12-15,19,24,27,29H,2-5,10-11,16-17H2,1H3/t24-,27?/m0/s1InChIKey
MJSQSRWIJXBFDJ-BXXZMZEQSA-NSynonyms
956944-42-6(12aS)2cycloheptyl6(3methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cycloheptyl6(3methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cycloheptyl2(3methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400701
956944426
COc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCC1
InChI=1SC28H31N3O3c13420128918(1520)272622(2113671423(21)2926)162428(33)30(1725(32)31(24)27)191042351119h69121519242729H2510111617H21H3t2427?m0s1
MFCD05671855
ZINC000002111387
ZINC000002111388
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