Vitas-M small molecule compound
(3aR,6aS)-3-(2,4-dimethoxyphenyl)-5-(5-methoxy-2-methyl-4-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK569556
SMILES COc1ccc(c(c1)OC)C1=NO[C@H]2[C@@H]1C(=O)N(C2=O)c1cc(OC)c(cc1C)[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 C21H19N3O8 MW 441.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O8/c1-10-7-14(24(27)28)16(31-4)9-13(10)23-20(25)17-18(22-32-19(17)21(23)26)12-6-5-11(29-2)8-15(12)30-3/h5-9,17,19H,1-4H3/t17-,19+/m1/s1InChIKey
JGXZBCCQCYRVOJ-MJGOQNOKSA-NSynonyms
1212331-39-9(3aR6aS)3(24dimethoxyphenyl)5(5methoxy2methyl4nitrophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)3(24dimethoxyphenyl)5(5methoxy2methyl4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(24dimethoxyphenyl)5(5methoxy2methyl4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212331399
CC1=CC(=C(C=C1N2C(=O)C3C(C2=O)ON=C3C4=C(C=C(C=C4)OC)OC)OC)(N+)(=O)(O)
COc1ccc(c(c1)OC)C1=NO(C@H)2(C@@H)1C(=O)N(C2=O)c1cc(OC)c(cc1C)(N+)(=O)(O)
InChI=1SC21H19N3O8c110714(24(27)28)16(314)913(10)2320(25)1718(223219(17)21(23)26)126511(292)815(12)303h591719H14H3t1719+m1s1
MFCD18245303
ZINC000101239271
ZINC101239271
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.