Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-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
STK594595
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)C(C)(C)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 C22H26N2O5 MW 398.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5/c1-22(2,3)24-20(25)15-12-9-13(16(15)21(24)26)19-17(12)18(23-29-19)11-7-6-10(27-4)8-14(11)28-5/h6-8,12-13,15-17,19H,9H2,1-5H3/t12-,13+,15+,16-,17+,19+/m0/s1InChIKey
VOAIBIDXECPQJF-ZDBGYIDJSA-NSynonyms
1212402-32-8(3aR4R4aR7aS8R8aR)6(tertbutyl)3(24dimethoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)6tertbutyl3(24dimethoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1212402328
CC(C)(C)N1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=C(C=C(C=C5)OC)OC
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)C(C)(C)C
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)C(C)(C)C
InChI=1SC22H26N2O5c122(23)2420(25)1512913(16(15)21(24)26)1917(12)18(232919)117610(274)814(11)285h681213151719H9H215H3t1213+1516+1719m1s1
MFCD18245992
ZINC000005324896
Check stock
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Check stock on Vitas-MAvailable files
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