Vitas-M small molecule compound
(5Z)-5-{3-ethoxy-4-[(3-fluorobenzyl)oxy]benzylidene}-1,3-dimethyl-2-thioxoimidazolidin-4-one
Catalog ID
STL369787
SMILES CCOc1cc(ccc1OCc1cccc(c1)F)/C=C/1\N(C)C(=S)N(C1=O)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 C21H21FN2O3S MW 400.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21FN2O3S/c1-4-26-19-12-14(11-17-20(25)24(3)21(28)23(17)2)8-9-18(19)27-13-15-6-5-7-16(22)10-15/h5-12H,4,13H2,1-3H3/b17-11-InChIKey
VBHSXVLSEMAJCG-BOPFTXTBSA-NSynonyms
(5Z)5((3ETHOXY4((3FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)13DIMETHYL2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)5(3ethoxy4((3fluorobenzyl)oxy)benzylidene)13dimethyl2thioxoimidazolidin4one
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)N2C)C)OCC3=CC(=CC=C3)F
CCOc1cc(ccc1OCc1cccc(c1)F)C=C1N(C)C(=S)N(C1=O)C
InChI=1SC21H21FN2O3Sc1426191214(111720(25)24(3)21(28)23(17)2)8918(19)27131565716(22)1015h512H413H213H3b1711
MFCD03716120
ZINC000001111882
ZINC01111882
ZINC1111882
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