Vitas-M small molecule compound

(5E)-5-{3-methoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-2-thioxoimidazolidin-4-one

Catalog ID
STL169501
SMILES COc1cc(ccc1OCc1ccc(cc1)[N+](=O)[O-])/C=C\1/NC(=S)NC1=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 C18H15N3O5S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5S/c1-25-16-9-12(8-14-17(22)20-18(27)19-14)4-7-15(16)26-10-11-2-5-13(6-3-11)21(23)24/h2-9H,10H2,1H3,(H2,19,20,22,27)/b14-8+
InChIKey
OSMWQQUGIICBAG-RIYZIHGNSA-N
Synonyms
292168-68-4
(5E)5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5E)5(3methoxy4((4nitrobenzyl)oxy)benzylidene)2thioxoimidazolidin4one
292168684
5((3METHOXY4((4NITROPHENYL)METHOXY)PHENYL)METHYLENE)2THIOXO13DIAZOLIDIN4ONE
COC1=C(C=CC(=C1)C=C2C(=O)NC(=S)N2)OCC3=CC=C(C=C3)(N+)(=O)(O)
COc1cc(ccc1OCc1ccc(cc1)(N+)(=O)(O))C=C1NC(=S)NC1=O
InChI=1SC18H15N3O5Sc12516912(81417(22)2018(27)1914)4715(16)2610112513(6311)21(23)24h29H10H21H3(H219202227)b148+
MFCD01451983
ZINC000000758000
ZINC758000

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Available files

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