Vitas-M small molecule compound
butyl (3aS,6R,7aR)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564285
SMILES CCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)C(c1ccc(cc1)OC)C)O2
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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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-4-5-12-27-21(25)18-17-10-11-22(28-17)13-23(20(24)19(18)22)14(2)15-6-8-16(26-3)9-7-15/h6-11,14,17-19H,4-5,12-13H2,1-3H3/t14?,17-,18?,19+,22-/m1/s1InChIKey
QUDLZXRYDTUMMH-QNRDCZKFSA-NSynonyms
1164542-32-8(3aS6R7aR)butyl2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1164542328
5389831
butyl(1S5R7R)3(1(4methoxyphenyl)ethyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
butyl(3aS6R7aR)2(1(4methoxyphenyl)ethyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)C(c1ccc(cc1)OC)C)O2
InChI=1SC22H27NO5c145122721(25)1817101122(2817)1323(20(24)19(18)22)14(2)156816(263)9715h611141719H451213H213H3t14?1718?19+22m1s1
MFCD04185740
ZINC000002414315
ZINC000002414318
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