Vitas-M small molecule compound
ethyl 3-ethyl-10-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092809
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OC)CC
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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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-5-19-16(24)18-13-10-8-7-9-11(21-4)14(10)23-17(19,3)12(13)15(20)22-6-2/h7-9,12-13H,5-6H2,1-4H3,(H,18,24)InChIKey
YGMHFWZWPBFLNT-UHFFFAOYSA-NSynonyms
1008434-53-41008434534
CCN1C(=S)NC2C(C1(OC3=C2C=CC=C3OC)C)C(=O)OCC
ethyl3ethyl10methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC17H22N2O4Sc151916(24)18131087911(214)14(10)2317(193)12(13)15(20)2262h791213H56H214H3(H1824)
MFCD04445094
ZINC000100030033
ZINC000102866263
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