Vitas-M small molecule compound

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

Catalog ID
STL528698
SMILES CCCCCN1CC(=O)N2[C@@](C1=O)(C)c1[nH]c3c(c1C(C2)c1ccc(cc1)C)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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-4-5-8-15-29-17-23(31)30-16-21(19-13-11-18(2)12-14-19)24-20-9-6-7-10-22(20)28-25(24)27(30,3)26(29)32/h6-7,9-14,21,28H,4-5,8,15-17H2,1-3H3/t21?,27-/m0/s1
InChIKey
IVETUHWCHAECJQ-YQAGWJQESA-N
Synonyms
956815-74-0
(12bS)12bmethyl2pentyl7(ptolyl)2367tetrahydropyrazino(1212)pyrido(34b)indole14(12H12bH)dione
(12bS)12bmethyl7(4methylphenyl)2pentyl23671212bhexahydropyrazino(1212)pyrido(34b)indole14dione
(2~(S))2methyl9(4methylphenyl)4pentyl4717triazatetracyclo(8700^(27)0^(1116))heptadeca1(10)111315tetraene36dione
16402403
956815740
CCCCCN1CC(=O)N2(C@@)(C1=O)(C)c1(nH)c3c(c1C(C2)c1ccc(cc1)C)cccc3
InChI=1SC27H31N3O2c145815291723(31)301621(19131118(2)121419)24209671022(20)2825(24)27(303)26(29)32h679142128H4581517H213H3t21?27m0s1
MFCD06493585
ZINC000004082833
ZINC000004082834

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Available files

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