Vitas-M small molecule compound
(12aS)-6-(3-bromophenyl)-2-(3,4,5-trimethoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528926
SMILES COc1c(OC)cc(cc1OC)CN1CC(=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 C30H28BrN3O5 MW 590.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28BrN3O5/c1-37-24-11-17(12-25(38-2)29(24)39-3)15-33-16-26(35)34-23(30(33)36)14-21-20-9-4-5-10-22(20)32-27(21)28(34)18-7-6-8-19(31)13-18/h4-13,23,28,32H,14-16H2,1-3H3/t23-,28?/m0/s1InChIKey
VEYAYISOHFAWDZ-UHFKCPIBSA-NSynonyms
956826-92-9(12aS)6(3bromophenyl)2(345trimethoxybenzyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(3bromophenyl)2(345trimethoxybenzyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(3bromophenyl)6((345trimethoxyphenyl)methyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16404869
956826929
COc1c(OC)cc(cc1OC)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)Br)(nH)c2c1cccc2
InChI=1SC30H28BrN3O5c137241117(1225(382)29(24)393)15331626(35)3423(30(33)36)1421209451022(20)3227(21)28(34)1876819(31)1318h413232832H1416H213H3t2328?m0s1
MFCD05727549
ZINC000001323529
ZINC000001323530
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