Vitas-M small molecule compound
methyl {(5E)-5-[(1-{4-[(2-fluorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Catalog ID
STK155457
SMILES COC(=O)CN1C(=O)S/C(=C/c2cc(n(c2C)c2ccc(cc2)OCc2ccccc2F)C)/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 C26H23FN2O5S MW 494.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O5S/c1-16-12-19(13-23-25(31)28(26(32)35-23)14-24(30)33-3)17(2)29(16)20-8-10-21(11-9-20)34-15-18-6-4-5-7-22(18)27/h4-13H,14-15H2,1-3H3/b23-13+InChIKey
CMFQURUSOSLAJV-YDZHTSKRSA-NSynonyms
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3F)C)C=C4C(=O)N(C(=O)S4)CC(=O)OC
COC(=O)CN1C(=O)SC(=Cc2cc(n(c2C)c2ccc(cc2)OCc2ccccc2F)C)C1=O
InChI=1SC26H23FN2O5Sc1161219(132325(31)28(26(32)3523)1424(30)333)17(2)29(16)2081021(11920)341518645722(18)27h413H1415H213H3b2313+
METHYL((5E)5((1(4((2FLUOROBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((1(4((2FLUOROPHENYL)METHOXY)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03992982
ZINC000001137644
ZINC01137644
ZINC1137644
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