Vitas-M small molecule compound
(5Z)-5-{3,5-diiodo-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(prop-2-yn-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157207
SMILES C#CCN1C(=O)S/C(=C\c2cc(I)c(c(c2)I)OCc2ccc(cc2)[N+](=O)[O-])/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 C20H12I2N2O5S MW 646.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12I2N2O5S/c1-2-7-23-19(25)17(30-20(23)26)10-13-8-15(21)18(16(22)9-13)29-11-12-3-5-14(6-4-12)24(27)28/h1,3-6,8-10H,7,11H2/b17-10-InChIKey
QCPUMGCDUPXTGU-YVLHZVERSA-NSynonyms
(5Z)5((35DIIODO4((4NITROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROP2YNYL13THIAZOLIDINE24DIONE
(5Z)5(35DIIODO4((4NITROBENZYL)OXY)BENZYLIDENE)3(PROP2YN1YL)13THIAZOLIDINE24DIONE
C#CCN1C(=O)C(=CC2=CC(=C(C(=C2)I)OCC3=CC=C(C=C3)(N+)(=O)(O))I)SC1=O
C#CCN1C(=O)SC(=Cc2cc(I)c(c(c2)I)OCc2ccc(cc2)(N+)(=O)(O))C1=O
InChI=1SC20H12I2N2O5Sc1272319(25)17(3020(23)26)1013815(21)18(16(22)913)2911123514(6412)24(27)28h136810H711H2b1710
MFCD03226889
ZINC000150345379
ZINC150345379
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