Vitas-M small molecule compound
(3aS,4R,4aS,7aR,8R,8aS)-6-(4-methylphenyl)-3-(3-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STL007713
SMILES Cc1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1O[C@@H]2[C@@H]2[C@H]1C(=NO2)c1cccc(c1)[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 C22H17N3O6 MW 419.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O6/c1-10-5-7-12(8-6-10)24-21(26)14-15(22(24)27)19-20-16(18(14)30-19)17(23-31-20)11-3-2-4-13(9-11)25(28)29/h2-9,14-16,18-20H,1H3/t14-,15+,16-,18-,19+,20-/m0/s1InChIKey
HQPFZCOCKIJOOR-AEVHBADWSA-NSynonyms
943836-50-8(3aS4R4aS7aR8R8aS)3(3nitrophenyl)6(ptolyl)44a88atetrahydro3aH48epoxyisoxazolo(45f)isoindole57(6H7aH)dione
(3aS4R4aS7aR8R8aS)6(4methylphenyl)3(3nitrophenyl)4a7a88atetrahydro3aH48epoxy(12)oxazolo(45f)isoindole57(4H6H)dione
943836508
Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1O(C@H)2(C@@H)2(C@H)1C(=NO2)c1cccc(c1)(N+)(=O)(O)
Cc1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@H)1O(C@@H)2(C@@H)2(C@H)1C(=NO2)c1cccc(c1)(N+)(=O)(O)
MFCD18247192
ZINC000009267066
Check stock
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Check stock on Vitas-MAvailable files
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