Vitas-M small molecule compound
(12bS)-7-(2-ethoxy-3-methoxyphenyl)-2-[2-(3-fluorophenyl)ethyl]-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528763
SMILES CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1cccc(c1)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 C32H32FN3O4 MW 541.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32FN3O4/c1-4-40-29-22(12-8-14-26(29)39-3)24-18-36-27(37)19-35(16-15-20-9-7-10-21(33)17-20)31(38)32(36,2)30-28(24)23-11-5-6-13-25(23)34-30/h5-14,17,24,34H,4,15-16,18-19H2,1-3H3/t24?,32-/m0/s1InChIKey
DAIVKTXWBOLJFS-TWAVRPEISA-NSynonyms
956917-94-5(12bS)7(2ethoxy3methoxyphenyl)2(2(3fluorophenyl)ethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)2(3fluorophenethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)4(2(3fluorophenyl)ethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403356
956917945
CCOc1c(OC)cccc1C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1cccc(c1)F
InChI=1SC32H32FN3O4c14402922(1281426(29)393)24183627(37)1935(161520971021(33)1720)31(38)32(362)3028(24)2311561325(23)3430h514172434H415161819H213H3t24?32m0s1
MFCD06495645
ZINC000070698375
ZINC000070698380
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.