Vitas-M small molecule compound

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

Catalog ID
STL540598
SMILES OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OCC)[nH]c2c1cccc2

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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 C25H27N3O4 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4/c1-2-32-21-11-6-4-9-17(21)24-23-18(16-8-3-5-10-19(16)26-23)14-20-25(31)27(12-7-13-29)15-22(30)28(20)24/h3-6,8-11,20,24,26,29H,2,7,12-15H2,1H3/t20-,24?/m0/s1
InChIKey
XBYFOTWCMIAKLK-QHELBMECSA-N
Synonyms
956944-84-6
(12aS)6(2ethoxyphenyl)2(3hydroxypropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(3hydroxypropyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6(3hydroxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400856
956944846
InChI=1SC25H27N3O4c1232211164917(21)242318(168351019(16)2623)142025(31)27(1271329)1522(30)28(20)24h3681120242629H271215H21H3t2024?m0s1
MFCD05672136
OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2
ZINC000002111919
ZINC000002111920

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Available files

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