Vitas-M small molecule compound
(12aS)-6-(4-bromophenyl)-2-[2-(cyclohex-1-en-1-yl)ethyl]-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL548962
SMILES Brc1ccc(cc1)C1N2C(=O)CN(C(=O)[C@@H]2Cc2c1[nH]c1c2cccc1)CCC1=CCCCC1
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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 C28H28BrN3O2 MW 518.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28BrN3O2/c29-20-12-10-19(11-13-20)27-26-22(21-8-4-5-9-23(21)30-26)16-24-28(34)31(17-25(33)32(24)27)15-14-18-6-2-1-3-7-18/h4-6,8-13,24,27,30H,1-3,7,14-17H2/t24-,27?/m0/s1InChIKey
GEMMKRKWAWLBCU-BXXZMZEQSA-NSynonyms
957043-57-1(12aS)6(4bromophenyl)2(2(cyclohex1en1yl)ethyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4bromophenyl)2(2(cyclohex1en1yl)ethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4bromophenyl)6(2(cyclohexen1yl)ethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400157
957043571
Brc1ccc(cc1)C1N2C(=O)CN(C(=O)(C@@H)2Cc2c1(nH)c1c2cccc1)CCC1=CCCCC1
InChI=1SC28H28BrN3O2c2920121019(111320)272622(21845923(21)3026)162428(34)31(1725(33)32(24)27)1514186213718h46813242730H1371417H2t2427?m0s1
MFCD05670949
ZINC000002108804
ZINC000002108806
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