Vitas-M small molecule compound

(12aS)-2-hexyl-6-(2-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL546020
SMILES CCCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccccc2OC)[nH]c2c1cccc2

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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 C27H31N3O3 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3/c1-3-4-5-10-15-29-17-24(31)30-22(27(29)32)16-20-18-11-6-8-13-21(18)28-25(20)26(30)19-12-7-9-14-23(19)33-2/h6-9,11-14,22,26,28H,3-5,10,15-17H2,1-2H3/t22-,26?/m0/s1
InChIKey
RFJOVIMCFDDULZ-CHQVSRGASA-N
Synonyms
956912-23-5
(12aS)2hexyl6(2methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2hexyl6(2methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6hexyl2(2methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401603
956912235
CCCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OC)(nH)c2c1cccc2
InChI=1SC27H31N3O3c13451015291724(31)3022(27(29)32)16201811681321(18)2825(20)26(30)1912791423(19)332h691114222628H35101517H212H3t2226?m0s1
MFCD05675517
ZINC000002120519
ZINC000002120521

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Available files

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