Vitas-M small molecule compound

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

Catalog ID
STL529403
SMILES Brc1cccc(c1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCc1c[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 C30H25BrN4O2 MW 553.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN4O2/c31-20-7-5-6-18(14-20)29-28-23(22-9-2-4-11-25(22)33-28)15-26-30(37)34(17-27(36)35(26)29)13-12-19-16-32-24-10-3-1-8-21(19)24/h1-11,14,16,26,29,32-33H,12-13,15,17H2/t26-,29?/m0/s1
InChIKey
JAENKKCMQSSAHP-QUWDGAPNSA-N
Synonyms
956961-30-1
(12aS)2(2(1Hindol3yl)ethyl)6(3bromophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3bromophenyl)2(2(1Hindol3yl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3bromophenyl)6(2(1~(H)indol3yl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16403866
956961301
Brc1cccc(c1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCc1c(nH)c2c1cccc2
InChI=1SC30H25BrN4O2c312075618(1420)292823(229241125(22)3328)152630(37)34(1727(36)35(26)29)1312191632241031821(19)24h111141626293233H12131517H2t2629?m0s1
MFCD05728542
ZINC000001320154
ZINC000001320156

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Available files

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