Vitas-M small molecule compound
(12bS)-2-[2-(4-chlorophenyl)ethyl]-7-(3-methoxy-4-propoxyphenyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL529426
SMILES CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCc1ccc(cc1)Cl
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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 C33H34ClN3O4 MW 572.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H34ClN3O4/c1-4-17-41-27-14-11-22(18-28(27)40-3)25-19-37-29(38)20-36(16-15-21-9-12-23(34)13-10-21)32(39)33(37,2)31-30(25)24-7-5-6-8-26(24)35-31/h5-14,18,25,35H,4,15-17,19-20H2,1-3H3/t25?,33-/m0/s1InChIKey
IZZFPJMEILYHEQ-ZEWJHAJUSA-NSynonyms
956813-51-7(12bS)2(2(4chlorophenyl)ethyl)7(3methoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(4chlorophenethyl)7(3methoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4(2(4chlorophenyl)ethyl)9(3methoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403668
956813517
CCCOc1ccc(cc1OC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCc1ccc(cc1)Cl
InChI=1SC33H34ClN3O4c14174127141122(1828(27)403)25193729(38)2036(16152191223(34)131021)32(39)33(372)3130(25)24756826(24)3531h514182535H415171920H213H3t25?33m0s1
MFCD06764938
ZINC000070699092
ZINC000070699097
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.