Vitas-M small molecule compound

(12aS)-6-(3-bromophenyl)-2-(prop-2-en-1-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL541938
SMILES C=CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Br)[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 C23H20BrN3O2 MW 450.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20BrN3O2/c1-2-10-26-13-20(28)27-19(23(26)29)12-17-16-8-3-4-9-18(16)25-21(17)22(27)14-6-5-7-15(24)11-14/h2-9,11,19,22,25H,1,10,12-13H2/t19-,22?/m0/s1
InChIKey
QZMATKHXFYOUTB-YDNXMHBPSA-N
Synonyms
956912-17-7
(12aS)2allyl6(3bromophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3bromophenyl)2(prop2en1yl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3bromophenyl)6prop2enyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401546
956912177
C=CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2
InChI=1SC23H20BrN3O2c1210261320(28)2719(23(26)29)121716834918(16)2521(17)22(27)1465715(24)1114h2911192225H1101213H2t1922?m0s1
MFCD05675238
ZINC000002159563
ZINC000002159567

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Available files

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