Vitas-M small molecule compound
(5Z)-5-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzylidene}-3-propyl-2-thioxoimidazolidin-4-one
Catalog ID
STL375153
SMILES CCCN1C(=S)N/C(=C\c2ccc(c(c2)OC)OCc2ccccc2F)/C1=O
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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 C21H21FN2O3S MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3S/c1-3-10-24-20(25)17(23-21(24)28)11-14-8-9-18(19(12-14)26-2)27-13-15-6-4-5-7-16(15)22/h4-9,11-12H,3,10,13H2,1-2H3,(H,23,28)/b17-11-InChIKey
FRJRLFWVDUWRRV-BOPFTXTBSA-NSynonyms
(5Z)5((4((2FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)3PROPYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(4((2fluorobenzyl)oxy)3methoxybenzylidene)3propyl2thioxoimidazolidin4one
CCCN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3F)OC)NC1=S
CCCN1C(=S)NC(=Cc2ccc(c(c2)OC)OCc2ccccc2F)C1=O
InChI=1SC21H21FN2O3Sc13102420(25)17(2321(24)28)11148918(19(1214)262)271315645716(15)22h491112H31013H212H3(H2328)b1711
MFCD04086895
ZINC000003662767
ZINC03662767
ZINC3662767
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