Vitas-M small molecule compound
[(5E)-5-{3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK376961
SMILES OC(=O)CN1C(=S)S/C(=C/c2cc(Br)c(c(c2)Br)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/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 C19H9Br2F3N2O6S2 MW 642.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H9Br2F3N2O6S2/c20-10-3-8(5-14-17(29)25(7-15(27)28)18(33)34-14)4-11(21)16(10)32-13-2-1-9(19(22,23)24)6-12(13)26(30)31/h1-6H,7H2,(H,27,28)/b14-5+InChIKey
PXJSDGKYVGIXED-LHHJGKSTSA-NSynonyms
((5E)5(35dibromo4(2nitro4(trifluoromethyl)phenoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((35DIBROMO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
2(5((35DIBROMO4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
C1=CC(=C(C=C1C(F)(F)F)(N+)(=O)(O))OC2=C(C=C(C=C2Br)C=C3C(=O)N(C(=S)S3)CC(=O)O)Br
InChI=1SC19H9Br2F3N2O6S2c201038(51417(29)25(715(27)28)18(33)3414)411(21)16(10)3213219(19(2223)24)612(13)26(30)31h16H7H2(H2728)b145+
MFCD01590816
OC(=O)CN1C(=S)SC(=Cc2cc(Br)c(c(c2)Br)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)C1=O
ZINC000004180192
ZINC4180192
Check stock
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Check stock on Vitas-MAvailable files
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