Vitas-M small molecule compound

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

Catalog ID
STL546230
SMILES CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)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 C25H26BrN3O2 MW 480.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O2/c1-2-3-6-13-28-15-22(30)29-21(25(28)31)14-19-18-7-4-5-8-20(18)27-23(19)24(29)16-9-11-17(26)12-10-16/h4-5,7-12,21,24,27H,2-3,6,13-15H2,1H3/t21-,24?/m0/s1
InChIKey
JHWCFENHBBCKQD-XEGCMXMBSA-N
Synonyms
956990-36-6
(12aS)6(4bromophenyl)2pentyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4bromophenyl)2pentyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4bromophenyl)6pentyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400613
956990366
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)Br)(nH)c2c1cccc2
InChI=1SC25H26BrN3O2c123613281522(30)2921(25(28)31)141918745820(18)2723(19)24(29)1691117(26)121016h45712212427H2361315H21H3t2124?m0s1
MFCD05671714
ZINC000002111133
ZINC000008918315

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Available files

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