Vitas-M small molecule compound

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

Catalog ID
STL542603
SMILES CC(OCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)Br)[nH]c2c1cccc2)C

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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 C26H28BrN3O3 MW 510.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrN3O3/c1-16(2)33-12-6-11-29-15-23(31)30-22(26(29)32)14-20-19-9-3-4-10-21(19)28-24(20)25(30)17-7-5-8-18(27)13-17/h3-5,7-10,13,16,22,25,28H,6,11-12,14-15H2,1-2H3/t22-,25?/m0/s1
InChIKey
DMIZZGDRFIEXML-XADRRFQNSA-N
Synonyms
956998-70-2
(12aS)6(3bromophenyl)2(3(propan2yloxy)propyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)6(3bromophenyl)2(3isopropoxypropyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))2(3bromophenyl)6(3propan2yloxypropyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401320
956998702
CC(OCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2)C
InChI=1SC26H28BrN3O3c116(2)3312611291523(31)3022(26(29)32)1420199341021(19)2824(20)25(30)1775818(27)1317h357101316222528H611121415H212H3t2225?m0s1
MFCD05674016
ZINC000002117750
ZINC000002117752

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Available files

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