Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-6-benzyl-3-(2,4-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK572933
SMILES COc1cc(OC)ccc1C1=NO[C@H]2[C@@H]1[C@@H]1C[C@H]2[C@H]2[C@@H]1C(=O)N(C2=O)Cc1ccccc1
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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 C25H24N2O5 MW 432.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O5/c1-30-14-8-9-15(18(10-14)31-2)22-21-16-11-17(23(21)32-26-22)20-19(16)24(28)27(25(20)29)12-13-6-4-3-5-7-13/h3-10,16-17,19-21,23H,11-12H2,1-2H3/t16-,17+,19+,20-,21+,23+/m0/s1InChIKey
DJQFBGBNMUPCTC-VDKRJKRFSA-NSynonyms
1014042-82-0(3aR4R4aR7aS8R8aR)6benzyl3(24dimethoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)6benzyl3(24dimethoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1014042820
COc1cc(OC)ccc1C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)Cc1ccccc1
COc1cc(OC)ccc1C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)Cc1ccccc1
MFCD18245459
ZINC000009488461
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