Vitas-M small molecule compound
ethyl 10-ethoxy-3-(4-fluorophenyl)-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Catalog ID
STL092811
SMILES CCOC(=O)C1C2NC(=S)N(C1(C)Oc1c2cccc1OCC)c1ccc(cc1)F
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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 C22H23FN2O4S MW 430.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O4S/c1-4-27-16-8-6-7-15-18-17(20(26)28-5-2)22(3,29-19(15)16)25(21(30)24-18)14-11-9-13(23)10-12-14/h6-12,17-18H,4-5H2,1-3H3,(H,24,30)InChIKey
UKBLHBSJXGUZNM-UHFFFAOYSA-NSynonyms
1023529-39-61023529396
CCOC1=CC=CC2=C1OC3(C(C2NC(=S)N3C4=CC=C(C=C4)F)C(=O)OCC)C
ethyl10ethoxy3(4fluorophenyl)2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxylate
InChI=1SC22H23FN2O4Sc142716867151817(20(26)2852)22(32919(15)16)25(21(30)2418)1411913(23)101214h6121718H45H213H3(H2430)
MFCD04445093
ZINC000102866254
ZINC000102866258
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