Vitas-M small molecule compound
(5Z)-5-{3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK153161
SMILES S=C1NC(=O)/C(=C/c2ccc(c(c2)Cl)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 C17H8ClF3N2O4S2 MW 460.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H8ClF3N2O4S2/c18-10-5-8(6-14-15(24)22-16(28)29-14)1-3-12(10)27-13-4-2-9(17(19,20)21)7-11(13)23(25)26/h1-7H,(H,22,24,28)/b14-6-InChIKey
MPBWUDPFPIHRNH-NSIKDUERSA-NSynonyms
(5Z)5((3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3CHLORO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
C1=CC(=C(C=C1C=C2C(=O)NC(=S)S2)Cl)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
InChI=1SC17H8ClF3N2O4S2c181058(61415(24)2216(28)2914)1312(10)2713429(17(1920)21)711(13)23(25)26h17H(H222428)b146
MFCD02379577
S=C1NC(=O)C(=Cc2ccc(c(c2)Cl)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)S1
ZINC000008766488
ZINC8766488
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