Vitas-M small molecule compound

[(5E)-5-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STL428491
SMILES OC(=O)CN1C(=S)S/C(=C/c2ccc(cc2)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 C19H11F3N2O6S2 MW 484.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11F3N2O6S2/c20-19(21,22)11-3-6-14(13(8-11)24(28)29)30-12-4-1-10(2-5-12)7-15-17(27)23(9-16(25)26)18(31)32-15/h1-8H,9H2,(H,25,26)/b15-7+
InChIKey
KNAHXGZXXMICOW-VIZOYTHASA-N
Synonyms

((5E)5(4(2nitro4(trifluoromethyl)phenoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O)
InChI=1SC19H11F3N2O6S2c2019(2122)113614(13(811)24(28)29)30124110(2512)71517(27)23(916(25)26)18(31)3215h18H9H2(H2526)b157+
MFCD03706718
OC(=O)CN1C(=S)SC(=Cc2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)C1=O
ZINC000002991919
ZINC2991919

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Available files

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