Vitas-M small molecule compound

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

Catalog ID
STL529230
SMILES CC(CCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)C)cccc3)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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-17(2)13-14-29-16-23(31)30-15-21(19-11-9-18(3)10-12-19)24-20-7-5-6-8-22(20)28-25(24)27(30,4)26(29)32/h5-12,17,21,28H,13-16H2,1-4H3/t21?,27-/m0/s1
InChIKey
UONDFHMNEAUERX-YQAGWJQESA-N
Synonyms
956936-40-6
(12bS)12bmethyl2(3methylbutyl)7(4methylphenyl)23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(12bS)2isopentyl12bmethyl7(ptolyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(2~(S))2methyl4(3methylbutyl)9(4methylphenyl)4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402930
956936406
CC(CCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)C)cccc3)C
InChI=1SC27H31N3O2c117(2)1314291623(31)301521(1911918(3)101219)2420756822(20)2825(24)27(304)26(29)32h512172128H1316H214H3t21?27m0s1
MFCD06494716
ZINC000004083658
ZINC000004083660

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Available files

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