Vitas-M small molecule compound
ethyl 2-{[(7-bromo-1-benzoxepin-4-yl)carbonyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK731967
SMILES CCOC(=O)c1c(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)sc(c1C)C
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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 C20H18BrNO4S MW 448.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrNO4S/c1-4-25-20(24)17-11(2)12(3)27-19(17)22-18(23)13-7-8-26-16-6-5-15(21)10-14(16)9-13/h5-10H,4H2,1-3H3,(H,22,23)InChIKey
GHJMYKXGRIGEGL-UHFFFAOYSA-NSynonyms
951898-04-7951898047
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC3=C(C=CC(=C3)Br)OC=C2
ethyl2(((7bromo1benzoxepin4yl)carbonyl)amino)45dimethylthiophene3carboxylate
ethyl2((7bromo1benzoxepine4carbonyl)amino)45dimethylthiophene3carboxylate
ETHYL2((7BROMOBENZO(B)OXEPIN4YL)CARBONYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
ethyl2(7bromobenzo(b)oxepine4carboxamido)45dimethylthiophene3carboxylate
InChI=1SC20H18BrNO4Sc142520(24)1711(2)12(3)2719(17)2218(23)137826166515(21)1014(16)913h510H4H213H3(H2223)
MFCD10082144
ZINC000012274581
ZINC12274581
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