Vitas-M small molecule compound

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

Catalog ID
STL528930
SMILES CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)[N+](=O)[O-])[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 C26H28N4O4 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4/c1-2-3-4-7-14-28-16-23(31)29-22(26(28)32)15-20-19-8-5-6-9-21(19)27-24(20)25(29)17-10-12-18(13-11-17)30(33)34/h5-6,8-13,22,25,27H,2-4,7,14-16H2,1H3/t22-,25?/m0/s1
InChIKey
KRBAVGGTTWGTMO-XADRRFQNSA-N
Synonyms
956822-40-5
(12aS)2hexyl6(4nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2hexyl6(4nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6hexyl2(4nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401070
956822405
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC26H28N4O4c1234714281623(31)2922(26(28)32)152019856921(19)2724(20)25(29)17101218(131117)30(33)34h56813222527H2471416H21H3t2225?m0s1
MFCD05672659
ZINC000002113017
ZINC000002113019

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Available files

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