Vitas-M small molecule compound
(12aS)-2-{[(E)-(2,4-dichlorophenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457922
SMILES Clc1ccc(c(c1)Cl)/C=N/N1CC(=O)N2[C@H](C1=O)Cc1c(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 C21H16Cl2N4O2 MW 427.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N4O2/c22-13-6-5-12(16(23)7-13)9-24-27-11-20(28)26-10-18-15(8-19(26)21(27)29)14-3-1-2-4-17(14)25-18/h1-7,9,19,25H,8,10-11H2/b24-9+/t19-/m0/s1InChIKey
ZXUUIVBTYSZKBG-TVLIKWEDSA-NSynonyms
(12aS)2(((E)(24dichlorophenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(24dichlorobenzylidene)amino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((24dichlorobenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=C(C=C(C=C5)Cl)Cl
Clc1ccc(c(c1)Cl)C=NN1CC(=O)N2(C@@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
Clc1ccc(c(c1)Cl)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC21H16Cl2N4O2c22136512(16(23)713)924271120(28)26101815(819(26)21(27)29)14312417(14)2518h1791925H81011H2b249+t19m0s1
MFCD03851928
ZINC000011692254
ZINC38191034
Check stock
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Check stock on Vitas-MAvailable files
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