Vitas-M small molecule compound
(12aS)-2-{[(E)-(3-chlorophenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL457907
SMILES Clc1cccc(c1)/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 C21H17ClN4O2 MW 392.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2/c22-14-5-3-4-13(8-14)10-23-26-12-20(27)25-11-18-16(9-19(25)21(26)28)15-6-1-2-7-17(15)24-18/h1-8,10,19,24H,9,11-12H2/b23-10+/t19-/m0/s1InChIKey
MYQGCDGTWRCECS-LGWXCPLXSA-NSynonyms
(12aS)2(((E)(3chlorophenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(3chlorobenzylidene)amino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((3chlorobenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=CC(=CC=C5)Cl
Clc1cccc(c1)C=NN1CC(=O)N2(C@@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
Clc1cccc(c1)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
InChI=1SC21H17ClN4O2c221453413(814)1023261220(27)25111816(919(25)21(26)28)15612717(15)2418h18101924H91112H2b2310+t19m0s1
MFCD03854087
ZINC000006345165
ZINC34687963
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