Vitas-M small molecule compound
(5Z)-5-{3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-imino-1,3-thiazolidin-4-one
Catalog ID
STK394078
SMILES N=C1NC(=O)/C(=C/c2cc(Br)c(c(c2)Br)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/S1
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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 C17H8Br2F3N3O4S MW 567.14 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H8Br2F3N3O4S/c18-9-3-7(5-13-15(26)24-16(23)30-13)4-10(19)14(9)29-12-2-1-8(17(20,21)22)6-11(12)25(27)28/h1-6H,(H2,23,24,26)/b13-5-InChIKey
VQZIMJYJQRXBMY-ACAGNQJTSA-NSynonyms
(5Z)2AMINO5((35DIBROMO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)5(35dibromo4(2nitro4(trifluoromethyl)phenoxy)benzylidene)2imino13thiazolidin4one
C1=CC(=C(C=C1C(F)(F)F)(N+)(=O)(O))OC2=C(C=C(C=C2Br)C=C3C(=O)N=C(S3)N)Br
InChI=1SC17H8Br2F3N3O4Sc18937(51315(26)2416(23)3013)410(19)14(9)2912218(17(2021)22)611(12)25(27)28h16H(H2232426)b135
MFCD01591068
N=C1NC(=O)C(=Cc2cc(Br)c(c(c2)Br)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)S1
ZINC000100474594
ZINC100474594
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