Vitas-M small molecule compound
(3aR,6aS)-5-(4-methoxyphenyl)-3-(4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK543090
SMILES COc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccc(cc1)[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 C18H13N3O6 MW 367.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13N3O6/c1-26-13-8-6-11(7-9-13)20-17(22)14-15(19-27-16(14)18(20)23)10-2-4-12(5-3-10)21(24)25/h2-9,14,16H,1H3/t14-,16+/m1/s1InChIKey
YMLWYIJFKFJQDM-ZBFHGGJFSA-NSynonyms
1137736-71-0(3AR6AS)5(4METHOXYPHENYL)3(4NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(4methoxyphenyl)3(4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(4methoxyphenyl)3(4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1137736710
COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC18H13N3O6c126138611(7913)2017(22)1415(192716(14)18(20)23)102412(5310)21(24)25h291416H1H3t1416+m1s1
MFCD18242049
ZINC000100898162
ZINC100898162
Check stock
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Check stock on Vitas-MAvailable files
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