Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(4-methylphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK578967
SMILES O=C1NC(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)c1ccc(cc1)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 C17H16N2O3 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O3/c1-7-2-4-8(5-3-7)14-13-9-6-10(15(13)22-19-14)12-11(9)16(20)18-17(12)21/h2-5,9-13,15H,6H2,1H3,(H,18,20,21)/t9-,10+,11+,12-,13+,15+/m0/s1InChIKey
ZHPQYCJLZIECGW-MYMCGMNMSA-NSynonyms
1212188-81-2(3aR4R4aR7aS8R8aR)3(4methylphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
(3aR4R4aR7aS8R8aR)3(ptolyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
1212188812
CC1=CC=C(C=C1)C2=NOC3C2C4CC3C5C4C(=O)NC5=O
InChI=1SC17H16N2O3c17248(537)14139610(15(13)221914)1211(9)16(20)1817(12)21h2591315H6H21H3(H182021)t910+1112+1315m1s1
MFCD18245617
O=C1NC(=O)(C@@H)2(C@H)1(C@@H)1C(C@H)2(C@@H)2(C@H)1C(=NO2)c1ccc(cc1)C
O=C1NC(=O)(C@@H)2(C@H)1(C@H)1C(C@@H)2(C@@H)2(C@H)1C(=NO2)c1ccc(cc1)C
ZINC000005206342
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.