Vitas-M small molecule compound
6-(4-chlorophenyl)-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
STK567326
SMILES Clc1ccc(cc1)N1C(=O)C2C(C1=O)C1OC2C2C1C(=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 C21H14ClN3O6 MW 439.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O6/c22-10-4-6-11(7-5-10)24-20(26)13-14(21(24)27)18-19-15(17(13)30-18)16(23-31-19)9-2-1-3-12(8-9)25(28)29/h1-8,13-15,17-19HInChIKey
SORGFXCWQFLVGU-UHFFFAOYSA-NSynonyms
(3aS4R4aS7aR8R8aS)6(4chlorophenyl)3(3nitrophenyl)44a88atetrahydro3aH48epoxyisoxazolo(45f)isoindole57(6H7aH)dione
6(4chlorophenyl)3(3nitrophenyl)4a7a88atetrahydro3aH48epoxy(12)oxazolo(45f)isoindole57(4H6H)dione
C1=CC(=CC(=C1)(N+)(=O)(O))C2=NOC3C2C4C5C(C3O4)C(=O)N(C5=O)C6=CC=C(C=C6)Cl
Clc1ccc(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)
Clc1ccc(cc1)N1C(=O)C2C(C1=O)C1OC2C2C1C(=NO2)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H14ClN3O6c22104611(7510)2420(26)1314(21(24)27)181915(17(13)3018)16(233119)921312(89)25(28)29h1813151719H
MFCD07197484
ZINC000245328163
ZINC000245328166
Check stock
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Check stock on Vitas-MAvailable files
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