Vitas-M small molecule compound

(12aS)-2-cycloheptyl-6-(2-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL537502
SMILES COc1ccccc1C1N2C(=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/c1-34-24-15-9-7-13-20(24)27-26-21(19-12-6-8-14-22(19)29-26)16-23-28(33)30(17-25(32)31(23)27)18-10-4-2-3-5-11-18/h6-9,12-15,18,23,27,29H,2-5,10-11,16-17H2,1H3/t23-,27?/m0/s1
InChIKey
XTVWWAMDTXXHES-DCCUJTHKSA-N
Synonyms
956941-84-7
(12aS)2cycloheptyl6(2methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2cycloheptyl6(2methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6cycloheptyl2(2methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400694
956941847
COc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCCCCC1
InChI=1SC28H31N3O3c1342415971320(24)272621(1912681422(19)2926)162328(33)30(1725(32)31(23)27)181042351118h69121518232729H2510111617H21H3t2327?m0s1
MFCD05671847
ZINC000002111370
ZINC000002111371

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Available files

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