Vitas-M small molecule compound
pentyl (3aS,6R,7aR)-2-(3-methoxypropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564229
SMILES CCCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)CCCOC)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 C18H27NO5 MW 337.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H27NO5/c1-3-4-5-11-23-17(21)14-13-7-8-18(24-13)12-19(9-6-10-22-2)16(20)15(14)18/h7-8,13-15H,3-6,9-12H2,1-2H3/t13-,14?,15+,18-/m1/s1InChIKey
TZEOWIQTROOJRX-NYELBAIQSA-NSynonyms
1164478-09-4(3aS6R7aR)pentyl2(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
1164478094
5389820
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)CCCOC)O2
InChI=1SC18H27NO5c1345112317(21)14137818(2413)1219(9610222)16(20)15(14)18h781315H36912H212H3t1314?15+18m1s1
MFCD04180777
pentyl(1S5R7R)3(3methoxypropyl)4oxo10oxa3azatricyclo(521015)dec8ene6carboxylate
pentyl(3aS6R7aR)2(3methoxypropyl)1oxo123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000002234628
ZINC000002234629
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