Vitas-M small molecule compound

(5Z)-1-(4-fluorophenyl)-5-[4-(4-nitrophenoxy)benzylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STL140850
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C/c2ccc(cc2)Oc2ccc(cc2)[N+](=O)[O-])/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 C23H14FN3O5S MW 463.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14FN3O5S/c24-15-3-5-16(6-4-15)26-22(29)20(21(28)25-23(26)33)13-14-1-9-18(10-2-14)32-19-11-7-17(8-12-19)27(30)31/h1-13H,(H,25,28,33)/b20-13-
InChIKey
NNJKUHSCYCCMPK-MOSHPQCFSA-N
Synonyms

(5Z)1(4fluorophenyl)5((4(4nitrophenoxy)phenyl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(4fluorophenyl)5(4(4nitrophenoxy)benzylidene)2thioxodihydropyrimidine46(1H5H)dione
C1=CC(=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)OC4=CC=C(C=C4)(N+)(=O)(O)
Fc1ccc(cc1)N1C(=S)NC(=O)C(=Cc2ccc(cc2)Oc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC23H14FN3O5Sc24153516(6415)2622(29)20(21(28)2523(26)33)13141918(10214)321911717(81219)27(30)31h113H(H252833)b2013
MFCD20755124
ZINC000067350942
ZINC67350942

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Available files

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