Vitas-M small molecule compound
methyl 2-[(3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Catalog ID
STK543738
SMILES COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(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 C19H13N3O7 MW 395.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O7/c1-28-19(25)12-4-2-3-5-13(12)21-17(23)14-15(20-29-16(14)18(21)24)10-6-8-11(9-7-10)22(26)27/h2-9,14,16H,1H3/t14-,16+/m1/s1InChIKey
MMMQHJFAHMNBHD-ZBFHGGJFSA-NSynonyms
1212171-39-51212171395
COC(=O)C1=CC=CC=C1N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)(N+)(=O)(O)
COC(=O)c1ccccc1N1C(=O)(C@H)2(C@@H)(C1=O)ON=C2c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H13N3O7c12819(25)12423513(12)2117(23)1415(202916(14)18(21)24)106811(9710)22(26)27h291416H1H3t1416+m1s1
methyl2((3aR6aS)3(4nitrophenyl)46dioxo3a466atetrahydro5Hpyrrolo(34d)(12)oxazol5yl)benzoate
METHYL2((3AR6AS)3(4NITROPHENYL)46DIOXO3A6ADIHYDROPYRROLO(34D)(12)OXAZOL5YL)BENZOATE
methyl2((3aR6aS)3(4nitrophenyl)46dioxo66adihydro3aHpyrrolo(34d)isoxazol5(4H)yl)benzoate
MFCD18242100
ZINC000100829515
ZINC100829515
Check stock
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