Vitas-M small molecule compound

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

Catalog ID
STL536890
SMILES CCOc1ccccc1C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)C1CCN(CC1)Cc1ccccc1

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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 C34H36N4O3 MW 548.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O3/c1-2-41-30-15-9-7-13-26(30)33-32-27(25-12-6-8-14-28(25)35-32)20-29-34(40)37(22-31(39)38(29)33)24-16-18-36(19-17-24)21-23-10-4-3-5-11-23/h3-15,24,29,33,35H,2,16-22H2,1H3/t29-,33?/m0/s1
InChIKey
SEQYUZRVTACMGK-WXTKOERCSA-N
Synonyms
957005-13-9
(12aS)2(1benzylpiperidin4yl)6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(1benzylpiperidin4yl)6(2ethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(1benzylpiperidin4yl)2(2ethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400218
957005139
CCOc1ccccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCN(CC1)Cc1ccccc1
InChI=1SC34H36N4O3c12413015971326(30)333227(2512681428(25)3532)202934(40)37(2231(39)38(29)33)24161836(191724)2123104351123h31524293335H21622H21H3t2933?m0s1
MFCD05671050
ZINC000002108999
ZINC000002109001

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Available files

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