Vitas-M small molecule compound

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

Catalog ID
STK542273
SMILES Cc1ccc(c(c1)C)N1C(=O)[C@H]2[C@@H](C1=O)ON=C2c1ccc(cc1)[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 C19H15N3O5 MW 365.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O5/c1-10-3-8-14(11(2)9-10)21-18(23)15-16(20-27-17(15)19(21)24)12-4-6-13(7-5-12)22(25)26/h3-9,15,17H,1-2H3/t15-,17+/m1/s1
InChIKey
PEODFDAIUIXEHI-WBVHZDCISA-N
Synonyms
1212185-82-4
(3AR6AS)5(24DIMETHYLPHENYL)3(4NITROPHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)5(24dimethylphenyl)3(4nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)5(24dimethylphenyl)3(4nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212185824
CC1=CC(=C(C=C1)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)(N+)(=O)(O))C
Cc1ccc(c(c1)C)N1C(=O)(C@H)2(C@@H)(C1=O)ON=C2c1ccc(cc1)(N+)(=O)(O)
InChI=1SC19H15N3O5c1103814(11(2)910)2118(23)1516(202717(15)19(21)24)124613(7512)22(25)26h391517H12H3t1517+m1s1
MFCD18241980
ZINC000100886691
ZINC100886691

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Available files

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