Vitas-M small molecule compound
(12aS)-2-[2-(4-fluorophenyl)ethyl]-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528768
SMILES Fc1ccc(cc1)CCN1CC(=O)N2[C@H](C1=O)Cc1c(C2c2cccc(c2)[N+](=O)[O-])[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 C28H23FN4O4 MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23FN4O4/c29-19-10-8-17(9-11-19)12-13-31-16-25(34)32-24(28(31)35)15-22-21-6-1-2-7-23(21)30-26(22)27(32)18-4-3-5-20(14-18)33(36)37/h1-11,14,24,27,30H,12-13,15-16H2/t24-,27?/m0/s1InChIKey
VDEAFHDCXYFXOS-BXXZMZEQSA-NSynonyms
956944-46-0(12aS)2(2(4fluorophenyl)ethyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4fluorophenethyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(8~(S))6(2(4fluorophenyl)ethyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16400710
956944460
Fc1ccc(cc1)CCN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC28H23FN4O4c291910817(91119)1213311625(34)3224(28(31)35)152221612723(21)3026(22)27(32)1843520(1418)33(36)37h11114242730H12131516H2t2427?m0s1
MFCD05671866
ZINC000001874263
ZINC000001874265
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