Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-12b-methyl-2-[3-(trifluoromethyl)benzyl]-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528830
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1cccc(c1)C(F)(F)F
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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 C31H28F3N3O2 MW 531.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28F3N3O2/c1-3-19-11-13-21(14-12-19)24-17-37-26(38)18-36(16-20-7-6-8-22(15-20)31(32,33)34)29(39)30(37,2)28-27(24)23-9-4-5-10-25(23)35-28/h4-15,24,35H,3,16-18H2,1-2H3/t24?,30-/m0/s1InChIKey
XRPOJUZDTVGSBX-FZNWDQQTSA-NSynonyms
956966-69-1(12bS)7(4ethylphenyl)12bmethyl2(3(trifluoromethyl)benzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)12bmethyl2(3(trifluoromethyl)benzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4((3(trifluoromethyl)phenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402326
956966691
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1cccc(c1)C(F)(F)F
InChI=1SC31H28F3N3O2c1319111321(141219)24173726(38)1836(162076822(1520)31(3233)34)29(39)30(372)2827(24)239451025(23)3528h4152435H31618H212H3t24?30m0s1
MFCD06493399
ZINC000070692206
ZINC000070692207
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.