Vitas-M small molecule compound

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

Catalog ID
STK620981
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1C(=NO2)c1cnn(c1C)C

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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 C16H13N5O5 MW 355.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O5/c1-8-11(7-17-19(8)2)13-12-14(26-18-13)16(23)20(15(12)22)9-4-3-5-10(6-9)21(24)25/h3-7,12,14H,1-2H3/t12-,14+/m0/s1
InChIKey
KMIAUIQYGONVBM-GXTWGEPZSA-N
Synonyms
1014410-19-5
(3aS6aR)3(15dimethyl1Hpyrazol4yl)5(3nitrophenyl)3aHpyrrolo(34d)(12)oxazole46(5H6aH)dione
(3aS6aR)3(15dimethyl1Hpyrazol4yl)5(3nitrophenyl)3aHpyrrolo(34d)isoxazole46(5H6aH)dione
(3aS6aR)3(15dimethylpyrazol4yl)5(3nitrophenyl)3a6adihydropyrrolo(34d)(12)oxazole46dione
1014410195
CC1=C(C=NN1C)C2=NOC3C2C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC16H13N5O5c1811(71719(8)2)131214(261813)16(23)20(15(12)22)943510(69)21(24)25h371214H12H3t1214+m0s1
MFCD18246399
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)(C@H)2(C@@H)1C(=NO2)c1cnn(c1C)C
ZINC000101492406
ZINC101492406

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Available files

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