Vitas-M small molecule compound
(12aS)-2-hexyl-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457941
SMILES CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)[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/c1-2-3-4-7-13-28-16-23(31)29-22(26(28)32)15-20-19-11-5-6-12-21(19)27-24(20)25(29)17-9-8-10-18(14-17)30(33)34/h5-6,8-12,14,22,25,27H,2-4,7,13,15-16H2,1H3/t22-,25?/m0/s1InChIKey
PGMOCGZDIZXQEI-XADRRFQNSA-NSynonyms
957000-49-6(12aS)2hexyl6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2hexyl6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2hexyl6(3nitrophenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
957000496
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
CCCCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC(=CC=C4)(N+)(=O)(O))NC5=CC=CC=C35
InChI=1SC26H28N4O4c1234713281623(31)2922(26(28)32)15201911561221(19)2724(20)25(29)17981018(1417)30(33)34h5681214222527H247131516H21H3t2225?m0s1
MFCD03660200
ZINC000002093835
ZINC000002093837
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