Vitas-M small molecule compound
(12aS)-6-(2-ethoxyphenyl)-2-(prop-2-en-1-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL538212
SMILES C=CCN1CC(=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 C25H25N3O3 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O3/c1-3-13-27-15-22(29)28-20(25(27)30)14-18-16-9-5-7-11-19(16)26-23(18)24(28)17-10-6-8-12-21(17)31-4-2/h3,5-12,20,24,26H,1,4,13-15H2,2H3/t20-,24?/m0/s1InChIKey
CPBGHIHMPQJTOO-QHELBMECSA-NSynonyms
957047-44-8(12aS)2allyl6(2ethoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(2ethoxyphenyl)2(prop2en1yl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(2ethoxyphenyl)6prop2enyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400180
957047448
C=CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OCC)(nH)c2c1cccc2
InChI=1SC25H25N3O3c1313271522(29)2820(25(27)30)1418169571119(16)2623(18)24(28)1710681221(17)3142h3512202426H141315H22H3t2024?m0s1
MFCD05670990
ZINC000002108871
ZINC000002108873
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