Vitas-M small molecule compound

(3aR,4R,4aR,7aS,8R,8aR)-6-tert-butyl-3-(2,5-dimethoxyphenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione

Catalog ID
STK583738
SMILES COc1ccc(cc1C1=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)OC

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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)11-8-10(27-4)6-7-14(11)28-5/h6-8,12-13,15-17,19H,9H2,1-5H3/t12-,13+,15+,16-,17+,19+/m0/s1
InChIKey
FVNKESDVWIAOGB-ZDBGYIDJSA-N
Synonyms
1212402-92-0
(3aR4R4aR7aS8R8aR)6(tertbutyl)3(25dimethoxyphenyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)6tertbutyl3(25dimethoxyphenyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1212402920
CC(C)(C)N1C(=O)C2C3CC(C2C1=O)C4C3C(=NO4)C5=C(C=CC(=C5)OC)OC
COc1ccc(cc1C1=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)OC
COc1ccc(cc1C1=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)OC
InChI=1SC22H26N2O5c122(23)2420(25)1512913(16(15)21(24)26)1917(12)18(232919)11810(274)6714(11)285h681213151719H9H215H3t1213+1516+1719m1s1
MFCD18245727
ZINC000005204825

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Available files

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