Vitas-M small molecule compound
(5E)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
Catalog ID
STL419931
SMILES S=C1S/C(=C/c2cc3OCOc3cc2[N+](=O)[O-])/C(=O)N1c1cccc(c1)C(F)(F)F
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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 C18H9F3N2O5S2 MW 454.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H9F3N2O5S2/c19-18(20,21)10-2-1-3-11(6-10)22-16(24)15(30-17(22)29)5-9-4-13-14(28-8-27-13)7-12(9)23(25)26/h1-7H,8H2/b15-5+InChIKey
HRWOALQVMFSWRU-PJQLUOCWSA-NSynonyms
(5E)5((6NITRO13BENZODIOXOL5YL)METHYLIDENE)2SULFANYLIDENE3(3(TRIFLUOROMETHYL)PHENYL)13THIAZOLIDIN4ONE
(5E)5((6nitro13benzodioxol5yl)methylidene)2thioxo3(3(trifluoromethyl)phenyl)13thiazolidin4one
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F)(N+)(=O)(O)
InChI=1SC18H9F3N2O5S2c1918(2021)1021311(610)2216(24)15(3017(22)29)5941314(2882713)712(9)23(25)26h17H8H2b155+
MFCD04209234
S=C1SC(=Cc2cc3OCOc3cc2(N+)(=O)(O))C(=O)N1c1cccc(c1)C(F)(F)F
ZINC000006974559
ZINC06974559
ZINC6974559
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