Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-6-methyl-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
STK599042
SMILES O=C1N(C)C(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2[C@@H]2[C@H]1C(=NO2)/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 C19H18N2O3 MW 322.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N2O3/c1-21-18(22)15-11-9-12(16(15)19(21)23)17-14(11)13(20-24-17)8-7-10-5-3-2-4-6-10/h2-8,11-12,14-17H,9H2,1H3/b8-7+/t11-,12-,14-,15-,16+,17-/m1/s1InChIKey
VOGOEXODQYXNHV-FHWNWKGBSA-NSynonyms
(3aR4R4aR7aS8R8aR)6methyl3((E)2phenylethenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
(3aR4R4aR7aS8R8aR)6methyl3((E)styryl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
CN1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C=CC5=CC=CC=C5
InChI=1SC19H18N2O3c12118(22)1511912(16(15)19(21)23)1714(11)13(202417)87105324610h2811121417H9H21H3b87+t111214+15+1617+m0s1
MFCD18246108
O=C1N(C)C(=O)(C@@H)2(C@H)1(C@@H)1C(C@H)2(C@@H)2(C@H)1C(=NO2)C=Cc1ccccc1
O=C1N(C)C(=O)(C@@H)2(C@H)1(C@H)1C(C@@H)2(C@@H)2(C@H)1C(=NO2)C=Cc1ccccc1
ZINC000005325128
Check stock
See real-time availability and sample size for STK599042 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.