Vitas-M small molecule compound
(12bS)-7-(3-methoxy-4-propoxyphenyl)-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
STL529439
SMILES CCCOc1ccc(cc1OC)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 C33H32F3N3O4 MW 591.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32F3N3O4/c1-4-14-43-26-13-12-21(16-27(26)42-3)24-18-39-28(40)19-38(17-20-8-7-9-22(15-20)33(34,35)36)31(41)32(39,2)30-29(24)23-10-5-6-11-25(23)37-30/h5-13,15-16,24,37H,4,14,17-19H2,1-3H3/t24?,32-/m0/s1InChIKey
TXJKCWQZZCQETK-TWAVRPEISA-NSynonyms
956936-87-1(12bS)7(3methoxy4propoxyphenyl)12bmethyl2(3(trifluoromethyl)benzyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3methoxy4propoxyphenyl)12bmethyl2(3(trifluoromethyl)benzyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3methoxy4propoxyphenyl)2methyl4((3(trifluoromethyl)phenyl)methyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404323
956936871
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1cccc(c1)C(F)(F)F
InChI=1SC33H32F3N3O4c14144326131221(1627(26)423)24183928(40)1938(172087922(1520)33(3435)36)31(41)32(392)3029(24)2310561125(23)3730h51315162437H4141719H213H3t24?32m0s1
MFCD06766771
ZINC000070700366
ZINC000070700368
Check stock
See real-time availability and sample size for STL529439 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.