Vitas-M small molecule compound

(3aR,6aS)-3-(2-chlorophenyl)-5-(2-methoxy-5-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione

Catalog ID
STL041385
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)C(=NO2)c1ccccc1Cl)[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/c1-27-13-7-6-9(22(25)26)8-12(13)21-17(23)14-15(20-28-16(14)18(21)24)10-4-2-3-5-11(10)19/h2-8,14,16H,1H3/t14-,16+/m1/s1
InChIKey
SZRKLXYKGLFIIP-ZBFHGGJFSA-N
Synonyms
1212331-84-4
(3AR6AS)3(2CHLOROPHENYL)5(2METHOXY5NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)3(2chlorophenyl)5(2methoxy5nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(2chlorophenyl)5(2methoxy5nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212331844
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C(C2=O)ON=C3C4=CC=CC=C4Cl
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)C(=NO2)c1ccccc1Cl)(N+)(=O)(O)
InChI=1SC18H12ClN3O6c12713769(22(25)26)812(13)2117(23)1415(202816(14)18(21)24)10423511(10)19h281416H1H3t1416+m1s1
MFCD18248094
ZINC000101212244
ZINC101212244

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Available files

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