Vitas-M small molecule compound
(12bS)-7-(4-bromophenyl)-2-(3-methoxybenzyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528975
SMILES COc1cccc(c1)CN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)Br)cccc3
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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 C29H26BrN3O3 MW 544.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26BrN3O3/c1-29-27-26(22-8-3-4-9-24(22)31-27)23(19-10-12-20(30)13-11-19)16-33(29)25(34)17-32(28(29)35)15-18-6-5-7-21(14-18)36-2/h3-14,23,31H,15-17H2,1-2H3/t23?,29-/m0/s1InChIKey
JRDKAMKOQYDRNH-IZCXSWDTSA-NSynonyms
956823-21-5(12bS)7(4bromophenyl)2(3methoxybenzyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4bromophenyl)2(3methoxybenzyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4bromophenyl)4((3methoxyphenyl)methyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403118
956823215
COc1cccc(c1)CN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)Br)cccc3
InChI=1SC29H26BrN3O3c1292726(22834924(22)3127)23(19101220(30)131119)1633(29)25(34)1732(28(29)35)151865721(1418)362h3142331H1517H212H3t23?29m0s1
MFCD06495124
ZINC000070697805
ZINC000070697810
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