Vitas-M small molecule compound
(2E)-13-acetyl-2-({5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL176584
SMILES CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C\c2ccc(o2)COc2ccc(c(c2)Cl)F)/s1
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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 C27H20ClFN2O5S MW 538.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20ClFN2O5S/c1-14(32)23-24-18-5-3-4-6-21(18)36-27(23,2)30-26-31(24)25(33)22(37-26)12-16-7-8-17(35-16)13-34-15-9-10-20(29)19(28)11-15/h3-12,23-24H,13H2,1-2H3/b22-12+InChIKey
PXTMYRMRHDXLML-WSDLNYQXSA-NSynonyms
1024892-21-4(2E)13acetyl2((5((3chloro4fluorophenoxy)methyl)furan2yl)methylidene)5methyl5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1024892214
CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=C(O5)COC6=CC(=C(C=C6)F)Cl)S4)C
CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2ccc(o2)COc2ccc(c(c2)Cl)F)s1
InChI=1SC27H20ClFN2O5Sc114(32)232418534621(18)3627(232)302631(24)25(33)22(3726)12167817(3516)13341591020(29)19(28)1115h3122324H13H212H3b2212+
MFCD04049669
ZINC000105543220
ZINC000105543222
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