Vitas-M small molecule compound
6-(4-acetylphenyl)-3-(4-nitrophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK782935
SMILES CC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccc(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 C24H19N3O6 MW 445.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O6/c1-11(28)12-2-6-14(7-3-12)26-23(29)18-16-10-17(19(18)24(26)30)22-20(16)21(25-33-22)13-4-8-15(9-5-13)27(31)32/h2-9,16-20,22H,10H2,1H3InChIKey
CSHCMAAIBIKRNH-UHFFFAOYSA-NSynonyms
(3aS4S4aR7aS8S8aS)6(4acetylphenyl)3(4nitrophenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
6(4ACETYLPHENYL)3(4NITROPHENYL)4A7A88ATETRAHYDRO3AH48METHANO(12)OXAZOLO(45F)ISOINDOLE57(4H6H)DIONE
CC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)(N+)(=O)(O)
CC(=O)c1ccc(cc1)N1C(=O)(C@@H)2(C@H)(C1=O)(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=NO2)c1ccc(cc1)(N+)(=O)(O)
CC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C2C1C(=NO2)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H19N3O6c111(28)122614(7312)2623(29)18161017(19(18)24(26)30)2220(16)21(253322)134815(9513)27(31)32h29162022H10H21H3
MFCD06617243
ZINC000248376488
ZINC000248376491
Check stock
See real-time availability and sample size for STK782935 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.