Vitas-M small molecule compound
(12aS)-2-(2-fluorobenzyl)-6-(3-nitrophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Catalog ID
STL528636
SMILES O=C1CN(Cc2ccccc2F)C(=O)[C@H]2N1C(c1cccc(c1)[N+](=O)[O-])c1c(C2)c2c([nH]1)cccc2
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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 C27H21FN4O4 MW 484.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN4O4/c28-21-10-3-1-6-17(21)14-30-15-24(33)31-23(27(30)34)13-20-19-9-2-4-11-22(19)29-25(20)26(31)16-7-5-8-18(12-16)32(35)36/h1-12,23,26,29H,13-15H2/t23-,26?/m0/s1InChIKey
GGOZMXAYBIGQCY-ZZHFZYNASA-NSynonyms
956158-11-5(12aS)2(2fluorobenzyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(2fluorobenzyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(8~(S))6((2fluorophenyl)methyl)2(3nitrophenyl)3617triazatetracyclo(8700^(38)0^(1116))heptadeca1(10)111315tetraene47dione
16401389
956158115
InChI=1SC27H21FN4O4c28211031617(21)14301524(33)3123(27(30)34)1320199241122(19)2925(20)26(31)1675818(1216)32(35)36h112232629H1315H2t2326?m0s1
MFCD05674351
O=C1CN(Cc2ccccc2F)C(=O)(C@H)2N1C(c1cccc(c1)(N+)(=O)(O))c1c(C2)c2c((nH)1)cccc2
ZINC000001845378
ZINC000001845382
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