Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(4-chlorophenyl)-6-cyclohexyl-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK575021
SMILES Clc1ccc(cc1)C1=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 C22H23ClN2O3 MW 398.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O3/c23-12-8-6-11(7-9-12)19-18-14-10-15(20(18)28-24-19)17-16(14)21(26)25(22(17)27)13-4-2-1-3-5-13/h6-9,13-18,20H,1-5,10H2/t14-,15+,16+,17-,18+,20+/m0/s1InChIKey
ADBFFFZOCDLIKY-PYCASWLRSA-NSynonyms
1164466-15-2(3aR4R4aR7aS8R8aR)3(4chlorophenyl)6cyclohexyl44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)3(4chlorophenyl)6cyclohexyl4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1164466152
C1CCC(CC1)N2C(=O)C3C4CC(C3C2=O)C5C4C(=NO5)C6=CC=C(C=C6)Cl
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@@H)1C(C@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C1CCCCC1
Clc1ccc(cc1)C1=NO(C@H)2(C@@H)1(C@H)1C(C@@H)2(C@H)2(C@@H)1C(=O)N(C2=O)C1CCCCC1
InChI=1SC22H23ClN2O3c23128611(7912)1918141015(20(18)282419)1716(14)21(26)25(22(17)27)134213513h69131820H1510H2t1415+1617+1820m1s1
MFCD18245521
ZINC000005398320
Check stock
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Check stock on Vitas-MAvailable files
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