Vitas-M small molecule compound
(12aS)-2-(4-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
STL457934
SMILES Fc1ccc(cc1)CN1CC(=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 C27H21FN4O4 MW 484.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN4O4/c28-18-10-8-16(9-11-18)14-30-15-24(33)31-23(27(30)34)13-21-20-6-1-2-7-22(20)29-25(21)26(31)17-4-3-5-19(12-17)32(35)36/h1-12,23,26,29H,13-15H2/t23-,26?/m0/s1InChIKey
DRNIWGMOTRWLPP-ZZHFZYNASA-NSynonyms
956913-12-5(12aS)2(4fluorobenzyl)6(3nitrophenyl)231212atetrahydropyrazino(1216)pyrido(34b)indole14(6H7H)dione
(12aS)2(4fluorobenzyl)6(3nitrophenyl)23671212ahexahydropyrazino(1216)pyrido(34b)indole14dione
(12aS)2(4fluorobenzyl)6(3nitrophenyl)671212atetrahydro3Hpyrazino(12b)$bcarboline14quinone
956913125
C1C2C(=O)N(CC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)(N+)(=O)(O))CC6=CC=C(C=C6)F
Fc1ccc(cc1)CN1CC(=O)N2(C@H)(C1=O)Cc1c(C2c2cccc(c2)(N+)(=O)(O))(nH)c2c1cccc2
InChI=1SC27H21FN4O4c281810816(91118)14301524(33)3123(27(30)34)132120612722(20)2925(21)26(31)1743519(1217)32(35)36h112232629H1315H2t2326?m0s1
MFCD03660327
ZINC000002093635
ZINC000002093637
Check stock
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Check stock on Vitas-MAvailable files
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