Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-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
STL528726
SMILES CCc1ccc(cc1)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 C32H33N3O2 MW 491.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33N3O2/c1-3-22-15-17-24(18-16-22)26-20-35-28(36)21-34(19-9-12-23-10-5-4-6-11-23)31(37)32(35,2)30-29(26)25-13-7-8-14-27(25)33-30/h4-8,10-11,13-18,26,33H,3,9,12,19-21H2,1-2H3/t26?,32-/m0/s1InChIKey
XYWSVNIUEPYGSY-AKWYTYQQSA-NSynonyms
956980-11-3(12bS)7(4ethylphenyl)12bmethyl2(3phenylpropyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)12bmethyl2(3phenylpropyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4(3phenylpropyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16403192
956980113
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCCc1ccccc1
InChI=1SC32H33N3O2c1322151724(181622)26203528(36)2134(1991223105461123)31(37)32(352)3029(26)2513781427(25)3330h48101113182633H39121921H212H3t26?32m0s1
MFCD06495273
ZINC000008789541
ZINC000012879440
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