Vitas-M small molecule compound
ethyl 3-ethyl-8-methoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094378
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cc(OC)cc1)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)18-14-11-9-10(21-4)7-8-12(11)23-17(19,3)13(14)15(20)22-6-2/h7-9,13-14H,5-6H2,1-4H3,(H,18,24)InChIKey
JBSLWVQWZUIFCE-UHFFFAOYSA-NSynonyms
1005087-87-51005087875
CCN1C(=S)NC2C(C1(OC3=C2C=C(C=C3)OC)C)C(=O)OCC
ethyl3ethyl8methoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC17H22N2O4Sc151916(24)181411910(214)7812(11)2317(193)13(14)15(20)2262h791314H56H214H3(H1824)
MFCD05030009
ZINC000100030025
ZINC000104785024
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