Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-3-[(E)-2-phenylethenyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK595107
SMILES O=C1[C@H]2[C@@H](C(=O)N1C(C)(C)C)[C@@H]1C[C@H]2[C@H]2[C@@H]1ON=C2/C=C/c1ccccc1
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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 C22H24N2O3 MW 364.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O3/c1-22(2,3)24-20(25)17-13-11-14(18(17)21(24)26)19-16(13)15(23-27-19)10-9-12-7-5-4-6-8-12/h4-10,13-14,16-19H,11H2,1-3H3/b10-9+/t13-,14-,16-,17-,18+,19-/m1/s1InChIKey
GAXPLFGLCHWYRA-DYKMYWMBSA-NSynonyms
(3aR4R4aR7aS8R8aR)6(tertbutyl)3((E)styryl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)6tertbutyl3((E)2phenylethenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
CC(C)(C)N1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C=CC5=CC=CC=C5
InChI=1SC22H24N2O3c122(23)2420(25)17131114(18(17)21(24)26)1916(13)15(232719)109127546812h41013141619H11H213H3b109+t131416+17+1819+m0s1
MFCD18246008
O=C1(C@H)2(C@@H)(C(=O)N1C(C)(C)C)(C@@H)1C(C@H)2(C@H)2(C@@H)1ON=C2C=Cc1ccccc1
O=C1(C@H)2(C@@H)(C(=O)N1C(C)(C)C)(C@H)1C(C@@H)2(C@H)2(C@@H)1ON=C2C=Cc1ccccc1
ZINC000005324069
Check stock
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Check stock on Vitas-MAvailable files
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