Vitas-M small molecule compound
methyl 10-ethoxy-2-methyl-4-thioxo-3-[3-(trifluoromethyl)phenyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL134507
SMILES CCOc1cccc2c1OC1(C)C(C2NC(=S)N1c1cccc(c1)C(F)(F)F)C(=O)OC
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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 C22H21F3N2O4S MW 466.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21F3N2O4S/c1-4-30-15-10-6-9-14-17-16(19(28)29-3)21(2,31-18(14)15)27(20(32)26-17)13-8-5-7-12(11-13)22(23,24)25/h5-11,16-17H,4H2,1-3H3,(H,26,32)InChIKey
LMFJWAYJALDTDL-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC=CC(=C4)C(F)(F)F)C(=O)OC)C
InChI=1SC22H21F3N2O4Sc1430151069141716(19(28)293)21(23118(14)15)27(20(32)2617)1385712(1113)22(2324)25h5111617H4H213H3(H2632)
methyl10ethoxy2methyl4thioxo3(3(trifluoromethyl)phenyl)3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
MFCD14746276
ZINC000245258151
ZINC000245258152
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