Vitas-M small molecule compound
(12bS)-7-(3-ethoxy-4-propoxyphenyl)-12b-methyl-2-propyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL531593
SMILES CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCC
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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 C29H35N3O4 MW 489.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4/c1-5-14-31-18-25(33)32-17-21(19-12-13-23(36-15-6-2)24(16-19)35-7-3)26-20-10-8-9-11-22(20)30-27(26)29(32,4)28(31)34/h8-13,16,21,30H,5-7,14-15,17-18H2,1-4H3/t21?,29-/m0/s1InChIKey
WKESFPORZYLLRC-TXMUIZFDSA-NSynonyms
956992-52-2(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2propyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(3ethoxy4propoxyphenyl)12bmethyl2propyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(3ethoxy4propoxyphenyl)2methyl4propyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402606
956992522
CCCOc1ccc(cc1OCC)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCC
InChI=1SC29H35N3O4c1514311825(33)321721(19121323(361562)24(1619)3573)262010891122(20)3027(26)29(324)28(31)34h813162130H5714151718H214H3t21?29m0s1
MFCD06493996
ZINC000008788932
ZINC000008788934
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