Vitas-M small molecule compound
benzyl (3aS,6R,7aR)-1-oxo-2-(thiophen-2-ylmethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Catalog ID
STL564155
SMILES O=C(C1[C@@H]2C=C[C@@]3([C@@H]1C(=O)N(C3)Cc1cccs1)O2)OCc1ccccc1
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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 C21H19NO4S MW 381.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO4S/c23-19-18-17(20(24)25-12-14-5-2-1-3-6-14)16-8-9-21(18,26-16)13-22(19)11-15-7-4-10-27-15/h1-10,16-18H,11-13H2/t16-,17?,18+,21-/m1/s1InChIKey
XEWIUPFMDBBCTJ-PJNGNRRGSA-NSynonyms
1212469-09-4(3aS6R7aR)benzyl1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
1212469094
17574829
benzyl(1S5R7R)4oxo3(thiophen2ylmethyl)10oxa3azatricyclo(521015)dec8ene6carboxylate
benzyl(3aS6R7aR)1oxo2(thiophen2ylmethyl)123677ahexahydro3a6epoxyisoindole7carboxylate
InChI=1SC21H19NO4Sc23191817(20(24)2512145213614)168921(182616)1322(19)111574102715h1101618H1113H2t1617?18+21m1s1
MFCD04158704
O=C(C1(C@H)2C=C(C@@)3((C@@H)1C(=O)N(C3)Cc1cccs1)O2)OCc1ccccc1
ZINC000005150606
ZINC000005150614
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