Vitas-M small molecule compound
(5E)-5-{3-chloro-5-ethoxy-4-[3-(2-methoxyphenoxy)propoxy]benzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK036957
SMILES C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCCCOc2ccccc2OC)/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 C25H26ClNO5S2 MW 520.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO5S2/c1-4-11-27-24(28)22(34-25(27)33)16-17-14-18(26)23(21(15-17)30-5-2)32-13-8-12-31-20-10-7-6-9-19(20)29-3/h4,6-7,9-10,14-16H,1,5,8,11-13H2,2-3H3/b22-16+InChIKey
LKIJGPBFEQWWJT-CJLVFECKSA-NSynonyms
(5E)5((3chloro5ethoxy4(3(2methoxyphenoxy)propoxy)phenyl)methylidene)3prop2enyl2sulfanylidene13thiazolidin4one
(5E)5(3CHLORO5ETHOXY4(3(2METHOXYPHENOXY)PROPOXY)BENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OCC)OCCCOc2ccccc2OC)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Cl)OCCCOC3=CC=CC=C3OC
InChI=1SC25H26ClNO5S2c14112724(28)22(3425(27)33)16171418(26)23(21(1517)3052)321381231201076919(20)293h4679101416H1581113H223H3b2216+
MFCD08672788
STK036957
ZINC000013942112
ZINC13942112
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