Vitas-M small molecule compound
(12aR)-2-(3-methylbutyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL527476
SMILES CC(CCN1CC(=O)N2[C@@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[nH]c2c1cccc2)C
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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 C25H26N4O4 MW 446.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4/c1-15(2)10-11-27-14-22(30)28-21(25(27)31)13-19-18-8-3-4-9-20(18)26-23(19)24(28)16-6-5-7-17(12-16)29(32)33/h3-9,12,15,21,24,26H,10-11,13-14H2,1-2H3/t21-,24?/m1/s1InChIKey
WVURHXBQJVJIRJ-CILPGNKCSA-NSynonyms
(12aR)2(3methylbutyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2isopentyl6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(R))6(3methylbutyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
44667874
CC(CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2)C
InChI=1SC25H26N4O4c115(2)1011271422(30)2821(25(27)31)131918834920(18)2623(19)24(28)1665717(1216)29(32)33h391215212426H10111314H212H3t2124?m1s1
MFCD03659978
ZINC000008769576
ZINC000008769578
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