Vitas-M small molecule compound
{2-[(3aR,4R,4aR,7aS,8R,8aR)-6-methyl-5,7-dioxo-4,4a,5,6,7,7a,8,8a-octahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindol-3-yl]phenoxy}acetonitrile
Catalog ID
STK581348
SMILES N#CCOc1ccccc1C1=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 C19H17N3O4 MW 351.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O4/c1-22-18(23)13-10-8-11(14(13)19(22)24)17-15(10)16(21-26-17)9-4-2-3-5-12(9)25-7-6-20/h2-5,10-11,13-15,17H,7-8H2,1H3/t10-,11+,13+,14-,15+,17+/m0/s1InChIKey
VECWXKIUEZLRMO-YCRNYQIISA-NSynonyms
1212284-39-3(2((3aR4R4aR7aS8R8aR)6methyl57dioxo44a5677a88aoctahydro3aH48methano(12)oxazolo(45f)isoindol3yl)phenoxy)acetonitrile
1212284393
2(2((3aR4R4aR7aS8R8aR)6methyl57dioxo44a5677a88aoctahydro3aH48methanoisoxazolo(45f)isoindol3yl)phenoxy)acetonitrile
CN1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=CC=CC=C5OCC#N
InChI=1SC19H17N3O4c12218(23)1310811(14(13)19(22)24)1715(10)16(212617)9423512(9)257620h251011131517H78H21H3t1011+1314+1517m1s1
MFCD18245670
N#CCOc1ccccc1C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C
N#CCOc1ccccc1C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C
ZINC000005389444
Check stock
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Check stock on Vitas-MAvailable files
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