Vitas-M small molecule compound
(12aS)-2-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457957
SMILES O=C1N(/N=C/c2cc(ccc2Cl)[N+](=O)[O-])CC(=O)N2[C@H]1Cc1c(C2)[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 C21H16ClN5O4 MW 437.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O4/c22-16-6-5-13(27(30)31)7-12(16)9-23-26-11-20(28)25-10-18-15(8-19(25)21(26)29)14-3-1-2-4-17(14)24-18/h1-7,9,19,24H,8,10-11H2/b23-9+/t19-/m0/s1InChIKey
XSQJFSNARDFHRB-MHGOYDKTSA-NSynonyms
(12aS)2(((E)(2chloro5nitrophenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(2chloro5nitrobenzylidene)amino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((2chloro5nitrobenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=C(C=CC(=C5)(N+)(=O)(O))Cl
InChI=1SC21H16ClN5O4c22166513(27(30)31)712(16)923261120(28)25101815(819(25)21(26)29)14312417(14)2418h1791924H81011H2b239+t19m0s1
MFCD03854152
O=C1N(N=Cc2cc(ccc2Cl)(N+)(=O)(O))CC(=O)N2(C@@H)1Cc1c(C2)(nH)c2c1cccc2
O=C1N(N=Cc2cc(ccc2Cl)(N+)(=O)(O))CC(=O)N2(C@H)1Cc1c(C2)(nH)c2c1cccc2
ZINC000011692258
ZINC33920844
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.