Vitas-M small molecule compound
(12bS)-7-(4-ethylphenyl)-12b-methyl-2-(3-methylbutyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528862
SMILES CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)[C@@]2(c2c1c1ccccc1[nH]2)C)CCC(C)C
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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 C28H33N3O2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O2/c1-5-19-10-12-20(13-11-19)22-16-31-24(32)17-30(15-14-18(2)3)27(33)28(31,4)26-25(22)21-8-6-7-9-23(21)29-26/h6-13,18,22,29H,5,14-17H2,1-4H3/t22?,28-/m0/s1InChIKey
DXLRHAQUORYXON-WNWQKLGWSA-NSynonyms
956936-44-0(12bS)7(4ethylphenyl)12bmethyl2(3methylbutyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)7(4ethylphenyl)2isopentyl12bmethyl2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))9(4ethylphenyl)2methyl4(3methylbutyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402951
956936440
CCc1ccc(cc1)C1CN2C(=O)CN(C(=O)(C@@)2(c2c1c1ccccc1(nH)2)C)CCC(C)C
InChI=1SC28H33N3O2c1519101220(131119)22163124(32)1730(151418(2)3)27(33)28(314)2625(22)21867923(21)2926h613182229H51417H214H3t22?28m0s1
MFCD06494763
ZINC000008789221
ZINC000008789222
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