Vitas-M small molecule compound
(5E)-5-{3-chloro-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzylidene}-3-(prop-2-en-1-yl)-1,3-thiazolidine-2,4-dione
Catalog ID
STK157564
SMILES C=CCN1C(=O)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCc2ccc(cc2)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 C22H19ClFNO4S MW 447.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClFNO4S/c1-3-9-25-21(26)19(30-22(25)27)12-15-10-17(23)20(18(11-15)28-4-2)29-13-14-5-7-16(24)8-6-14/h3,5-8,10-12H,1,4,9,13H2,2H3/b19-12+InChIKey
QSMHDNDAYHFFEK-XDHOZWIPSA-NSynonyms
(5E)5((3CHLORO5ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)METHYLIDENE)3PROP2ENYL13THIAZOLIDINE24DIONE
(5E)5(3CHLORO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYLIDENE)3(PROP2EN1YL)13THIAZOLIDINE24DIONE
3ALLYL5(3CHLORO5ETHOXY4((4FLUOROBENZYL)OXY)BENZYLIDENE)13THIAZOLIDINE24DIONE
C=CCN1C(=O)SC(=Cc2cc(Cl)c(c(c2)OCC)OCc2ccc(cc2)F)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC=C)Cl)OCC3=CC=C(C=C3)F
InChI=1SC22H19ClFNO4Sc1392521(26)19(3022(25)27)12151017(23)20(18(1115)2842)2913145716(24)8614h3581012H14913H22H3b1912+
MFCD03272018
ZINC000002177201
ZINC02177201
ZINC2177201
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