Vitas-M small molecule compound
{2-[(3aR,4R,4aR,7aS,8R,8aR)-6-cyclohexyl-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
STK592312
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)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 C24H25N3O4 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O4/c25-10-11-30-17-9-5-4-8-14(17)21-20-15-12-16(22(20)31-26-21)19-18(15)23(28)27(24(19)29)13-6-2-1-3-7-13/h4-5,8-9,13,15-16,18-20,22H,1-3,6-7,11-12H2/t15-,16+,18+,19-,20+,22+/m0/s1InChIKey
JLJPUMLUNPNBGY-BIPLRESBSA-NSynonyms
1014042-29-5(2((3aR4R4aR7aS8R8aR)6cyclohexyl57dioxo44a5677a88aoctahydro3aH48methano(12)oxazolo(45f)isoindol3yl)phenoxy)acetonitrile
1014042295
2(2((3aR4R4aR7aS8R8aR)6cyclohexyl57dioxo44a5677a88aoctahydro3aH48methanoisoxazolo(45f)isoindol3yl)phenoxy)acetonitrile
MFCD18245937
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)C1CCCCC1
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)C1CCCCC1
ZINC000009236927
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