Vitas-M small molecule compound

(12aS)-2-(5-hydroxypentyl)-6,6-dimethyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL526895
SMILES OCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2(C)C)[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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-21(2)19-15(14-8-4-5-9-16(14)22-19)12-17-20(27)23(10-6-3-7-11-25)13-18(26)24(17)21/h4-5,8-9,17,22,25H,3,6-7,10-13H2,1-2H3/t17-/m0/s1
InChIKey
JKSICWSQWCLAPG-KRWDZBQOSA-N
Synonyms
956043-58-6
(12aS)2(5hydroxypentyl)66dimethyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6(5hydroxypentyl)22dimethyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
(S)2(5hydroxypentyl)66dimethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
1755496
956043586
InChI=1SC21H27N3O3c121(2)1915(14845916(14)2219)121720(27)23(106371125)1318(26)24(17)21h4589172225H3671013H212H3t17m0s1
MFCD03265920
OCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2(C)C)(nH)c2c1cccc2
ZINC000002099463
ZINC2099463

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Available files

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