Vitas-M small molecule compound
(12aS)-2-butyl-6-(2-methoxyphenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537131
SMILES CCCCN1CC(=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 C25H27N3O3 MW 417.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O3/c1-3-4-13-27-15-22(29)28-20(25(27)30)14-18-16-9-5-7-11-19(16)26-23(18)24(28)17-10-6-8-12-21(17)31-2/h5-12,20,24,26H,3-4,13-15H2,1-2H3/t20-,24?/m0/s1InChIKey
KSHLUICKJJRHAZ-QHELBMECSA-NSynonyms
956817-16-6(12aS)2butyl6(2methoxyphenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2butyl6(2methoxyphenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6butyl2(2methoxyphenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401190
956817166
CCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccccc2OC)(nH)c2c1cccc2
InChI=1SC25H27N3O3c13413271522(29)2820(25(27)30)1418169571119(16)2623(18)24(28)1710681221(17)312h512202426H341315H212H3t2024?m0s1
MFCD05673325
ZINC000002114694
ZINC000002114696
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