Vitas-M small molecule compound
(3aR,6aS)-3-(2,3-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STL008541
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1cccc(c1OC)OC)[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 C20H17N3O8 MW 427.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O8/c1-28-13-8-7-10(23(26)27)9-12(13)22-19(24)15-16(21-31-18(15)20(22)25)11-5-4-6-14(29-2)17(11)30-3/h4-9,15,18H,1-3H3/t15-,18+/m1/s1InChIKey
VIMZKSWSPLNAGX-QAPCUYQASA-NSynonyms
1212368-61-0(3aR6aS)3(23dimethoxyphenyl)5(2methoxy5nitrophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
(3aR6aS)3(23dimethoxyphenyl)5(2methoxy5nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(23dimethoxyphenyl)5(2methoxy5nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212368610
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=C(C(=CC=C4)OC)OC
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1cccc(c1OC)OC)(N+)(=O)(O)
InChI=1SC20H17N3O8c128138710(23(26)27)912(13)2219(24)1516(213118(15)20(22)25)1154614(292)17(11)303h491518H13H3t1518+m1s1
MFCD18247213
ZINC000101275877
ZINC101275877
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