Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-12b-methyl-2-(3-phenylpropyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528974
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCCc1ccccc1
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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 C35H39N3O4 MW 565.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H39N3O4/c1-4-20-42-29-18-17-25(21-30(29)41-5-2)27-22-38-31(39)23-37(19-11-14-24-12-7-6-8-13-24)34(40)35(38,3)33-32(27)26-15-9-10-16-28(26)36-33/h6-10,12-13,15-18,21,27,36H,4-5,11,14,19-20,22-23H2,1-3H3/t27?,35-/m0/s1InChIKey
FKPWJCJGBKLECV-JFIHQKCHSA-NSynonyms
956818-67-0(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2(3phenylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2(3phenylpropyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)2methyl4(3phenylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16404019
956818670
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCc1ccccc1
InChI=1SC35H39N3O4c14204229181725(2130(29)4152)27223831(39)2337(19111424127681324)34(40)35(383)3332(27)26159101628(26)3633h61012131518212736H45111419202223H213H3t27?35m0s1
MFCD06765912
ZINC000070699795
ZINC000070699800
Check stock
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Check stock on Vitas-MAvailable files
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