Vitas-M small molecule compound

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

Catalog ID
STL457910
SMILES Brc1ccc(cc1)/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 C21H17BrN4O2 MW 437.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O2/c22-14-7-5-13(6-8-14)10-23-26-12-20(27)25-11-18-16(9-19(25)21(26)28)15-3-1-2-4-17(15)24-18/h1-8,10,19,24H,9,11-12H2/b23-10+/t19-/m0/s1
InChIKey
XWMPPGDKNKMFAU-LGWXCPLXSA-N
Synonyms

(12aS)2(((E)(4bromophenyl)methylidene)amino)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2((E)(4bromobenzylidene)amino)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
(RE)2((4bromobenzylidene)amino)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
Brc1ccc(cc1)C=NN1CC(=O)N2(C@@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
Brc1ccc(cc1)C=NN1CC(=O)N2(C@H)(C1=O)Cc1c(C2)(nH)c2c1cccc2
C1C2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N=CC5=CC=C(C=C5)Br
InChI=1SC21H17BrN4O2c22147513(6814)1023261220(27)25111816(919(25)21(26)28)15312417(15)2418h18101924H91112H2b2310+t19m0s1
MFCD03850430
ZINC000011692251
ZINC34379124

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Available files

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