Vitas-M small molecule compound
(5Z)-3-benzyl-5-{4-[2-(3,4-dimethylphenoxy)ethoxy]-3-iodo-5-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK001559
SMILES COc1cc(/C=C/2\SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCOc1ccc(c(c1)C)C)I
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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 C28H26INO4S2 MW 631.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26INO4S2/c1-18-9-10-22(13-19(18)2)33-11-12-34-26-23(29)14-21(15-24(26)32-3)16-25-27(31)30(28(35)36-25)17-20-7-5-4-6-8-20/h4-10,13-16H,11-12,17H2,1-3H3/b25-16-InChIKey
QBODNCDDLYKBMS-XYGWBWBKSA-NSynonyms
(5Z)3BENZYL5((4(2(34DIMETHYLPHENOXY)ETHOXY)3IODO5METHOXYPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3BENZYL5(4(2(34DIMETHYLPHENOXY)ETHOXY)3IODO5METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2I)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC)C
COc1cc(C=C2SC(=S)N(C2=O)Cc2ccccc2)cc(c1OCCOc1ccc(c(c1)C)C)I
InChI=1SC28H26INO4S2c11891022(1319(18)2)331112342623(29)1421(1524(26)323)162527(31)30(28(35)3625)17207546820h4101316H111217H213H3b2516
MFCD02109348
STK001559
ZINC000150353594
ZINC150353594
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