Vitas-M small molecule compound
(3aR,6aS)-5-(2-methyl-5-nitrophenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK551134
SMILES Cc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1cccc(c1)[N+](=O)[O-])[N+](=O)[O-]
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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 C18H12N4O7 MW 396.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O7/c1-9-5-6-12(22(27)28)8-13(9)20-17(23)14-15(19-29-16(14)18(20)24)10-3-2-4-11(7-10)21(25)26/h2-8,14,16H,1H3/t14-,16+/m1/s1InChIKey
JZHLYFJDIGARKY-ZBFHGGJFSA-NSynonyms
1212231-62-3(3aR6aS)5(2methyl5nitrophenyl)3(3nitrophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)5(2methyl5nitrophenyl)3(3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(2methyl5nitrophenyl)3(3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212231623
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=CC(=CC=C4)(N+)(=O)(O)
Cc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)ON=C2c1cccc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H12N4O7c195612(22(27)28)813(9)2017(23)1415(192916(14)18(20)24)1032411(710)21(25)26h281416H1H3t1416+m1s1
MFCD18242566
ZINC000101023121
ZINC101023121
Check stock
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Check stock on Vitas-MAvailable files
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