Vitas-M small molecule compound

ethyl {2-methoxy-4-[(E)-{4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]phenoxy}acetate

Catalog ID
STK382270
SMILES CCOC(=O)COc1ccc(cc1OC)/C=C\1/SC(=S)N(C1=O)c1cccc(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 C22H18F3NO5S2 MW 497.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F3NO5S2/c1-3-30-19(27)12-31-16-8-7-13(9-17(16)29-2)10-18-20(28)26(21(32)33-18)15-6-4-5-14(11-15)22(23,24)25/h4-11H,3,12H2,1-2H3/b18-10+
InChIKey
ZRUDULCZEYNOHY-VCHYOVAHSA-N
Synonyms

CCOC(=O)COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC(=C3)C(F)(F)F)OC
CCOC(=O)COc1ccc(cc1OC)C=C1SC(=S)N(C1=O)c1cccc(c1)C(F)(F)F
ethyl(2methoxy4((E)(4oxo2thioxo3(3(trifluoromethyl)phenyl)13thiazolidin5ylidene)methyl)phenoxy)acetate
ETHYL2(2METHOXY4((4OXO2THIOXO3(3(TRIFLUOROMETHYL)PHENYL)(13THIAZOLIDIN5YLIDENE))METHYL)PHENOXY)ACETATE
ETHYL2(2METHOXY4((E)(4OXO2SULFANYLIDENE3(3(TRIFLUOROMETHYL)PHENYL)13THIAZOLIDIN5YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC22H18F3NO5S2c133019(27)1231168713(917(16)292)101820(28)26(21(32)3318)1564514(1115)22(2324)25h411H312H212H3b1810+
MFCD03144316
ZINC000001150592
ZINC01150592
ZINC1150592

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.