Vitas-M small molecule compound

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

Catalog ID
STK542586
SMILES O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)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 C18H10F3N3O5 MW 405.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10F3N3O5/c19-18(20,21)11-3-1-2-4-12(11)23-16(25)13-14(22-29-15(13)17(23)26)9-5-7-10(8-6-9)24(27)28/h1-8,13,15H/t13-,15+/m1/s1
InChIKey
MDEYYKNAFIBUDY-HIFRSBDPSA-N
Synonyms
1212259-45-4
(3AR6AS)3(4NITROPHENYL)5(2(TRIFLUOROMETHYL)PHENYL)3A6ADIHYDROPYRROLO(34D)(12)OXAZOLE46DIONE
(3aR6aS)3(4nitrophenyl)5(2(trifluoromethyl)phenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aR6aS)3(4nitrophenyl)5(2(trifluoromethyl)phenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
1212259454
C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC18H10F3N3O5c1918(2021)11312412(11)2316(25)1314(222915(13)17(23)26)95710(869)24(27)28h181315Ht1315+m1s1
MFCD18242007
O=C1(C@H)2(C@@H)(C(=O)N1c1ccccc1C(F)(F)F)ON=C2c1ccc(cc1)(N+)(=O)(O)
ZINC000100870129
ZINC100870129

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Available files

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