Vitas-M small molecule compound

(5Z)-5-(3-iodo-5-methoxy-4-{2-[2-(prop-2-en-1-yl)phenoxy]ethoxy}benzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK095871
SMILES C=CCc1ccccc1OCCOc1c(I)cc(cc1OC)/C=C/1\SC(=S)N(C1=O)c1ccccc1

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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 C28H24INO4S2 MW 629.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24INO4S2/c1-3-9-20-10-7-8-13-23(20)33-14-15-34-26-22(29)16-19(17-24(26)32-2)18-25-27(31)30(28(35)36-25)21-11-5-4-6-12-21/h3-8,10-13,16-18H,1,9,14-15H2,2H3/b25-18-
InChIKey
DCEGKKHWZPVJAI-BWAHOGKJSA-N
Synonyms

(5Z)5((3IODO5METHOXY4(2(2PROP2ENYLPHENOXY)ETHOXY)PHENYL)METHYLIDENE)3PHENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(3IODO5METHOXY4(2(2(PROP2EN1YL)PHENOXY)ETHOXY)BENZYLIDENE)3PHENYL2THIOXO13THIAZOLIDIN4ONE
C=CCc1ccccc1OCCOc1c(I)cc(cc1OC)C=C1SC(=S)N(C1=O)c1ccccc1
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)I)OCCOC4=CC=CC=C4CC=C
InChI=1SC28H24INO4S2c1392010781323(20)331415342622(29)1619(1724(26)322)182527(31)30(28(35)3625)21115461221h3810131618H191415H22H3b2518
MFCD02109347
STK095871
ZINC000150405773
ZINC150405773

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Available files

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