Vitas-M small molecule compound

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

Catalog ID
STL537772
SMILES COc1cc(OC)ccc1C1N2C(=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 C34H36N4O4 MW 564.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N4O4/c1-41-24-12-13-26(30(18-24)42-2)33-32-27(25-10-6-7-11-28(25)35-32)19-29-34(40)37(21-31(39)38(29)33)23-14-16-36(17-15-23)20-22-8-4-3-5-9-22/h3-13,18,23,29,33,35H,14-17,19-21H2,1-2H3/t29-,33?/m0/s1
InChIKey
SAHIQQLPRMEPKM-WXTKOERCSA-N
Synonyms
956942-80-6
(12aS)2(1benzylpiperidin4yl)6(24dimethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(1benzylpiperidin4yl)6(24dimethoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(1benzylpiperidin4yl)2(24dimethoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399854
956942806
COc1cc(OC)ccc1C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)C1CCN(CC1)Cc1ccccc1
InChI=1SC34H36N4O4c14124121326(30(1824)422)333227(2510671128(25)3532)192934(40)37(2131(39)38(29)33)23141636(171523)20228435922h3131823293335H14171921H212H3t2933?m0s1
MFCD04146102
ZINC000002105044
ZINC000002105046

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Available files

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