Vitas-M small molecule compound

(5Z)-3-ethyl-1-methyl-5-{[5-(4-nitrophenyl)furan-2-yl]methylidene}-2-thioxoimidazolidin-4-one

Catalog ID
STL369649
SMILES CCN1C(=S)N(/C(=C\c2ccc(o2)c2ccc(cc2)[N+](=O)[O-])/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 C17H15N3O4S MW 357.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O4S/c1-3-19-16(21)14(18(2)17(19)25)10-13-8-9-15(24-13)11-4-6-12(7-5-11)20(22)23/h4-10H,3H2,1-2H3/b14-10-
InChIKey
CAQUMCGIXCYSHQ-UVTDQMKNSA-N
Synonyms

(5Z)3ETHYL1METHYL5((5(4NITROPHENYL)FURAN2YL)METHYLIDENE)2SULFANYLIDENEIMIDAZOLIDIN4ONE
(5Z)3ethyl1methyl5((5(4nitrophenyl)furan2yl)methylidene)2thioxoimidazolidin4one
CCN1C(=O)C(=CC2=CC=C(O2)C3=CC=C(C=C3)(N+)(=O)(O))N(C1=S)C
CCN1C(=S)N(C(=Cc2ccc(o2)c2ccc(cc2)(N+)(=O)(O))C1=O)C
InChI=1SC17H15N3O4Sc131916(21)14(18(2)17(19)25)10138915(2413)114612(7511)20(22)23h410H3H212H3b1410
MFCD03716266
ZINC000001112950
ZINC01112950
ZINC1112950

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Available files

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