Vitas-M small molecule compound
(12aS)-6-(4-methylphenyl)-2-pentyl-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL537673
SMILES CCCCCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2ccc(cc2)C)[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 C26H29N3O2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O2/c1-3-4-7-14-28-16-23(30)29-22(26(28)31)15-20-19-8-5-6-9-21(19)27-24(20)25(29)18-12-10-17(2)11-13-18/h5-6,8-13,22,25,27H,3-4,7,14-16H2,1-2H3/t22-,25?/m0/s1InChIKey
WOQKADFAKOYWEV-XADRRFQNSA-NSynonyms
956946-09-1(12aS)2pentyl6(ptolyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)6(4methylphenyl)2pentyl23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))2(4methylphenyl)6pentyl3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16399589
956946091
CCCCCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2ccc(cc2)C)(nH)c2c1cccc2
InChI=1SC26H29N3O2c134714281623(30)2922(26(28)31)152019856921(19)2724(20)25(29)18121017(2)111318h56813222527H3471416H212H3t2225?m0s1
MFCD04144536
ZINC000002101636
ZINC000004062908
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