Vitas-M small molecule compound

(12aS)-2-{[(E)-(2-chlorophenyl)methylidene]amino}-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL457952
SMILES O=C1N(/N=C/c2ccccc2Cl)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 C21H17ClN4O2 MW 392.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2/c22-16-7-3-1-5-13(16)10-23-26-12-20(27)25-11-18-15(9-19(25)21(26)28)14-6-2-4-8-17(14)24-18/h1-8,10,19,24H,9,11-12H2/b23-10+/t19-/m0/s1
InChIKey
SULOCANSGFYJQF-LGWXCPLXSA-N
Synonyms

(12aS)2(((E)(2chlorophenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(2chlorobenzylidene)amino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((2chlorobenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=CC=CC=C5Cl
InChI=1SC21H17ClN4O2c2216731513(16)1023261220(27)25111815(919(25)21(26)28)14624817(14)2418h18101924H91112H2b2310+t19m0s1
MFCD03851943
O=C1N(N=Cc2ccccc2Cl)CC(=O)N2(C@@H)1Cc1c(C2)(nH)c2c1cccc2
O=C1N(N=Cc2ccccc2Cl)CC(=O)N2(C@H)1Cc1c(C2)(nH)c2c1cccc2
ZINC000002150696
ZINC38159606

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Available files

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