Vitas-M small molecule compound
(5E)-3-benzyl-5-{4-[3-(3,5-dimethylphenoxy)propoxy]-3-methoxybenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK048806
SMILES COc1cc(ccc1OCCCOc1cc(C)cc(c1)C)/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C29H29NO4S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO4S2/c1-20-14-21(2)16-24(15-20)33-12-7-13-34-25-11-10-23(17-26(25)32-3)18-27-28(31)30(29(35)36-27)19-22-8-5-4-6-9-22/h4-6,8-11,14-18H,7,12-13,19H2,1-3H3/b27-18+InChIKey
PADBSHSQUZJMSX-OVVQPSECSA-NSynonyms
(5E)3benzyl5((4(3(35dimethylphenoxy)propoxy)3methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3BENZYL5(4(3(35DIMETHYLPHENOXY)PROPOXY)3METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=CC(=CC(=C1)OCCCOC2=C(C=C(C=C2)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)OC)C
COc1cc(ccc1OCCCOc1cc(C)cc(c1)C)C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC29H29NO4S2c1201421(2)1624(1520)33127133425111023(1726(25)323)182728(31)30(29(35)3627)19228546922h468111418H7121319H213H3b2718+
MFCD08051005
STK048806
ZINC000009969749
ZINC09969749
ZINC9969749
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