Vitas-M small molecule compound
butyl 1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384110
SMILES CCCCOC(=O)C1C2C=CC3(C1C(=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 C18H21NO4S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO4S/c1-2-3-8-22-17(21)14-13-6-7-18(23-13)11-19(16(20)15(14)18)10-12-5-4-9-24-12/h4-7,9,13-15H,2-3,8,10-11H2,1H3InChIKey
KMXLKFPGFHFDLC-UHFFFAOYSA-NSynonyms
(3aS6R7aR)butyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
butyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCCCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1cccs1)O2
CCCCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CS4)O2
InChI=1SC18H21NO4Sc12382217(21)14136718(2313)1119(16(20)15(14)18)10125492412h4791315H2381011H21H3
MFCD04041447
ZINC000226723771
ZINC000239331339
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