Vitas-M small molecule compound
3-(4-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Catalog ID
STK570404
SMILES COc1ccc(cc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)Cl)[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 C18H12ClN3O6 MW 401.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O6/c1-27-13-7-6-11(22(25)26)8-12(13)21-17(23)14-15(20-28-16(14)18(21)24)9-2-4-10(19)5-3-9/h2-8,14,16H,1H3InChIKey
GNNCAMFHTUDLJS-UHFFFAOYSA-NSynonyms
(3aR6aS)3(4chlorophenyl)5(2methoxy5nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
3(4CHLOROPHENYL)5(2METHOXY5NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
3(4chlorophenyl)5(2methoxy5nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)Cl
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccc(cc1)Cl)(N+)(=O)(O)
COc1ccc(cc1N1C(=O)C2C(C1=O)C(=NO2)c1ccc(cc1)Cl)(N+)(=O)(O)
InChI=1SC18H12ClN3O6c127137611(22(25)26)812(13)2117(23)1415(202816(14)18(21)24)92410(19)539h281416H1H3
MFCD07207897
ZINC000101314626
ZINC000102562236
Check stock
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Check stock on Vitas-MAvailable files
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