Vitas-M small molecule compound
pentyl (3aS,6R,7aR)-1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564276
SMILES CCCCCOC(=O)C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)Cc1cccs1)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 C19H23NO4S MW 361.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO4S/c1-2-3-4-9-23-18(22)15-14-7-8-19(24-14)12-20(17(21)16(15)19)11-13-6-5-10-25-13/h5-8,10,14-16H,2-4,9,11-12H2,1H3/t14-,15?,16+,19-/m1/s1InChIKey
JZLJBDZTYASOTL-QBKPQXPVSA-NSynonyms
1164523-89-0(3aS6R7aR)pentyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
1164523890
5389731
CCCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1cccs1)O2
InChI=1SC19H23NO4Sc123492318(22)15147819(2414)1220(17(21)16(15)19)111365102513h58101416H2491112H21H3t1415?16+19m1s1
MFCD04159049
pentyl(1S5R7R)4oxo3(thiophen2ylmethyl)10oxa3azatricyclo(521015)dec8ene6carboxylate
pentyl(3aS6R7aR)1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
ZINC000005151391
ZINC000005151397
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