Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-12b-methyl-2-(tetrahydrofuran-2-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL532271
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CC1CCCO1
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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 C31H37N3O5 MW 531.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O5/c1-4-14-39-25-13-12-20(16-26(25)37-5-2)23-18-34-27(35)19-33(17-21-9-8-15-38-21)30(36)31(34,3)29-28(23)22-10-6-7-11-24(22)32-29/h6-7,10-13,16,21,23,32H,4-5,8-9,14-15,17-19H2,1-3H3/t21?,23?,31-/m0/s1InChIKey
LINWQLATBBFZNW-SGSZRKLKSA-NSynonyms
956966-07-7(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2((tetrahydrofuran2yl)methyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2(tetrahydrofuran2ylmethyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))9(3ethoxy4propoxyphenyl)2methyl4(oxolan2ylmethyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402910
956966077
InChI=1SC31H37N3O5c14143925131220(1626(25)3752)23183427(35)1933(172198153821)30(36)31(343)2928(23)2210671124(22)3229h67101316212332H458914151719H213H3t21?23?31m0s1
MFCD06494678
ZINC000008789201
ZINC000012878639
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