Vitas-M small molecule compound

(12aR)-2-pentyl-6-(2-phenylethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

Catalog ID
STL527856
SMILES CCCCCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2CCc2ccccc2)[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 C27H31N3O2 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O2/c1-2-3-9-16-29-18-25(31)30-23(15-14-19-10-5-4-6-11-19)26-21(17-24(30)27(29)32)20-12-7-8-13-22(20)28-26/h4-8,10-13,23-24,28H,2-3,9,14-18H2,1H3/t23?,24-/m1/s1
InChIKey
MTJZDILDVUINMG-XMMISQBUSA-N
Synonyms

(12aR)2pentyl6(2phenylethyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2pentyl6phenethyl231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6pentyl2(2phenylethyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
135639322
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2CCc2ccccc2)(nH)c2c1cccc2
InChI=1SC27H31N3O2c123916291825(31)3023(151419105461119)2621(1724(30)27(29)32)2012781322(20)2826h481013232428H2391418H21H3t23?24m1s1
MFCD03661110
ZINC000016031377
ZINC000016031379

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.