Vitas-M small molecule compound
(12bS)-2-(2,4-dichlorobenzyl)-7-(3-ethoxy-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
STL529492
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)Cc1ccc(cc1Cl)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 C33H33Cl2N3O4 MW 606.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H33Cl2N3O4/c1-4-14-42-27-13-11-20(15-28(27)41-5-2)24-18-38-29(39)19-37(17-21-10-12-22(34)16-25(21)35)32(40)33(38,3)31-30(24)23-8-6-7-9-26(23)36-31/h6-13,15-16,24,36H,4-5,14,17-19H2,1-3H3/t24?,33-/m0/s1InChIKey
JGAOPJKENZBGDS-RULBIBMZSA-NSynonyms
956827-58-0(12bS)2(24dichlorobenzyl)7(3ethoxy4propoxyphenyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2(24dichlorobenzyl)7(3ethoxy4propoxyphenyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))4((24dichlorophenyl)methyl)9(3ethoxy4propoxyphenyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16405172
956827580
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)Cc1ccc(cc1Cl)Cl
InChI=1SC33H33Cl2N3O4c14144227131120(1528(27)4152)24183829(39)1937(1721101222(34)1625(21)35)32(40)33(383)3130(24)23867926(23)3631h61315162436H45141719H213H3t24?33m0s1
MFCD06769259
ZINC000070701453
ZINC000070701454
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