Vitas-M small molecule compound
ethyl 1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STK384107
SMILES CCOC(=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 C16H17NO4S MW 319.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17NO4S/c1-2-20-15(19)12-11-5-6-16(21-11)9-17(14(18)13(12)16)8-10-4-3-7-22-10/h3-7,11-13H,2,8-9H2,1H3InChIKey
MVEDZDROOIFVKH-UHFFFAOYSA-NSynonyms
(3aS6R7aR)ethyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
CCOC(=O)C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1cccs1)O2
CCOC(=O)C1C2C=CC3(C1C(=O)N(C3)CC4=CC=CS4)O2
ethyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC16H17NO4Sc122015(19)12115616(2111)917(14(18)13(12)16)8104372210h371113H289H21H3
MFCD04041444
ZINC000100885725
ZINC000245377580
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