Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(4-methoxyphenyl)-6-methyl-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK587763
SMILES COc1ccc(cc1)C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)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 C18H18N2O4 MW 326.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O4/c1-20-17(21)12-10-7-11(13(12)18(20)22)16-14(10)15(19-24-16)8-3-5-9(23-2)6-4-8/h3-6,10-14,16H,7H2,1-2H3/t10-,11+,12+,13-,14+,16+/m0/s1InChIKey
QLOGCZCPJCGFFN-RRGRKSGHSA-NSynonyms
1164515-70-1(3aR4R4aR7aS8R8aR)3(4methoxyphenyl)6methyl44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)3(4methoxyphenyl)6methyl4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1164515701
CN1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=CC=C(C=C5)OC
COc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C
COc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C
InChI=1SC18H18N2O4c12017(21)1210711(13(12)18(20)22)1614(10)15(192416)8359(232)648h36101416H7H212H3t1011+1213+1416m1s1
MFCD18245820
ZINC000005387784
Check stock
See real-time availability and sample size for STK587763 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.