Vitas-M small molecule compound
ethyl 8-chloro-3-(2-methoxyethyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092816
SMILES COCCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Cl)C(=O)OCC
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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 C17H21ClN2O4S MW 384.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21ClN2O4S/c1-4-23-15(21)13-14-11-9-10(18)5-6-12(11)24-17(13,2)20(7-8-22-3)16(25)19-14/h5-6,9,13-14H,4,7-8H2,1-3H3,(H,19,25)InChIKey
AOJRYAFQDHDAKV-UHFFFAOYSA-NSynonyms
CCOC(=O)C1C2C3=C(C=CC(=C3)Cl)OC1(N(C(=S)N2)CCOC)C
ethyl8chloro3(2methoxyethyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC17H21ClN2O4Sc142315(21)131411910(18)5612(11)2417(132)20(78223)16(25)1914h5691314H478H213H3(H1925)
MFCD18787043
ZINC000100030051
ZINC000100030054
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