Vitas-M small molecule compound
(3aR,4R,4aR,7aS,8R,8aR)-3-(2,4-dimethoxyphenyl)-6-[2-(dimethylamino)ethyl]-4a,7a,8,8a-tetrahydro-3aH-4,8-methano[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Catalog ID
STK594433
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)CCN(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 C22H27N3O5 MW 413.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O5/c1-24(2)7-8-25-21(26)16-13-10-14(17(16)22(25)27)20-18(13)19(23-30-20)12-6-5-11(28-3)9-15(12)29-4/h5-6,9,13-14,16-18,20H,7-8,10H2,1-4H3/t13-,14+,16+,17-,18+,20+/m0/s1InChIKey
PQYPHYAIJQRYTB-QCTDFANMSA-NSynonyms
1212355-67-3(3aR4R4aR7aS8R8aR)3(24dimethoxyphenyl)6(2(dimethylamino)ethyl)44a88atetrahydro3aH48methanoisoxazolo(45f)isoindole57(6H7aH)dione
(3aR4R4aR7aS8R8aR)3(24dimethoxyphenyl)6(2(dimethylamino)ethyl)4a7a88atetrahydro3aH48methano(12)oxazolo(45f)isoindole57(4H6H)dione
1212355673
CN(C)CCN1C(=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)CCN(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)CCN(C)C
InChI=1SC22H27N3O5c124(2)782521(26)16131014(17(16)22(25)27)2018(13)19(233020)126511(283)915(12)294h5691314161820H7810H214H3t1314+1617+1820m1s1
MFCD18245986
ZINC000005245225
Check stock
See real-time availability and sample size for STK594433 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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