Vitas-M small molecule compound
(3aR,6aS)-3-(4-fluorophenyl)-5-(4-methyl-3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL052287
SMILES Fc1ccc(cc1)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])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 C18H12FN3O5 MW 369.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12FN3O5/c1-9-2-7-12(8-13(9)22(25)26)21-17(23)14-15(20-27-16(14)18(21)24)10-3-5-11(19)6-4-10/h2-8,14,16H,1H3/t14-,16+/m1/s1InChIKey
BKCHBGKVJZTYME-ZBFHGGJFSA-NSynonyms
1212224-42-4(3AR6AS)3(4FLUOROPHENYL)5(4METHYL3NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)3(4fluorophenyl)5(4methyl3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(4fluorophenyl)5(4methyl3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212224424
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)F)(N+)(=O)(O)
Fc1ccc(cc1)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC18H12FN3O5c192712(813(9)22(25)26)2117(23)1415(202716(14)18(21)24)103511(19)6410h281416H1H3t1416+m1s1
MFCD18249451
ZINC000101194651
ZINC101194651
Check stock
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Check stock on Vitas-MAvailable files
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