Vitas-M small molecule compound
(3aR,6aS)-5-(4-acetylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK556142
SMILES O=C1N(c2ccc(cc2)C(=O)C)C(=O)[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[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 C19H13N3O6 MW 379.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13N3O6/c1-10(23)11-5-7-13(8-6-11)21-18(24)15-16(20-28-17(15)19(21)25)12-3-2-4-14(9-12)22(26)27/h2-9,15,17H,1H3/t15-,17+/m1/s1InChIKey
KPUHHPRJEXFCPD-WBVHZDCISA-NSynonyms
1212221-66-3(3AR6AS)5(4ACETYLPHENYL)3(3NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(4acetylphenyl)3(3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(4acetylphenyl)3(3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212221663
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC19H13N3O6c110(23)115713(8611)2118(24)1516(202817(15)19(21)25)1232414(912)22(26)27h291517H1H3t1517+m1s1
MFCD18242919
O=C1N(c2ccc(cc2)C(=O)C)C(=O)(C@@H)2(C@H)1C(=NO2)c1cccc(c1)(N+)(=O)(O)
ZINC000101045803
ZINC101045803
Check stock
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Check stock on Vitas-MAvailable files
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