Vitas-M small molecule compound
methyl [(5Z)-5-{3-chloro-4-[(4-fluorobenzyl)oxy]benzylidene}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STK025393
SMILES COC(=O)CN1C(=S)N(C(=O)/C/1=C/c1ccc(c(c1)Cl)OCc1ccc(cc1)F)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 C21H18ClFN2O4S MW 448.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN2O4S/c1-24-20(27)17(25(21(24)30)11-19(26)28-2)10-14-5-8-18(16(22)9-14)29-12-13-3-6-15(23)7-4-13/h3-10H,11-12H2,1-2H3/b17-10-InChIKey
NWCAGZYWQBKXBW-YVLHZVERSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)Cl)N(C1=S)CC(=O)OC
COC(=O)CN1C(=S)N(C(=O)C1=Cc1ccc(c(c1)Cl)OCc1ccc(cc1)F)C
InChI=1SC21H18ClFN2O4Sc12420(27)17(25(21(24)30)1119(26)282)10145818(16(22)914)2912133615(23)7413h310H1112H212H3b1710
METHYL((5Z)5(3CHLORO4((4FLUOROBENZYL)OXY)BENZYLIDENE)3METHYL4OXO2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2((5Z)5((3CHLORO4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3METHYL4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04086804
STK025393
ZINC000030828568
ZINC30828568
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