Vitas-M small molecule compound

(12bS)-7-(2-ethoxy-3-methoxyphenyl)-2-(2-hydroxyethyl)-12b-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL529422
SMILES OCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3

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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 C26H29N3O5 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O5/c1-4-34-23-16(9-7-11-20(23)33-3)18-14-29-21(31)15-28(12-13-30)25(32)26(29,2)24-22(18)17-8-5-6-10-19(17)27-24/h5-11,18,27,30H,4,12-15H2,1-3H3/t18?,26-/m0/s1
InChIKey
DMOFDNGZXFOIKQ-IHZSNKTASA-N
Synonyms
956991-12-1
(12bS)7(2ethoxy3methoxyphenyl)2(2hydroxyethyl)12bmethyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(2ethoxy3methoxyphenyl)2(2hydroxyethyl)12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(2ethoxy3methoxyphenyl)4(2hydroxyethyl)2methyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403488
956991121
InChI=1SC26H29N3O5c14342316(971120(23)333)18142921(31)1528(121330)25(32)26(292)2422(18)178561019(17)2724h511182730H41215H213H3t18?26m0s1
MFCD06495895
OCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1cccc(c1OCC)OC)cccc3
ZINC000008789847
ZINC000008789848

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Available files

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