Vitas-M small molecule compound
ethyl 3-(3-chlorophenyl)-10-ethoxy-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL094371
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OCC)c1cccc(c1)Cl
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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 C22H23ClN2O4S MW 446.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN2O4S/c1-4-27-16-11-7-10-15-18-17(20(26)28-5-2)22(3,29-19(15)16)25(21(30)24-18)14-9-6-8-13(23)12-14/h6-12,17-18H,4-5H2,1-3H3,(H,24,30)InChIKey
KRWFOYLZMVHPDW-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC(=CC=C4)Cl)C(=O)OCC)C
ethyl3(3chlorophenyl)10ethoxy2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H23ClN2O4Sc14271611710151817(20(26)2852)22(32919(15)16)25(21(30)2418)1496813(23)1214h6121718H45H213H3(H2430)
MFCD15085839
ZINC000104784821
ZINC000104784826
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