Vitas-M small molecule compound

(5E)-5-(4-butoxy-3-ethoxybenzylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK811945
SMILES CCCCOc1ccc(cc1OCC)/C=C\1/SC(=S)N(C1=O)CC1CCCO1

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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 C21H27NO4S2 MW 421.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27NO4S2/c1-3-5-10-26-17-9-8-15(12-18(17)24-4-2)13-19-20(23)22(21(27)28-19)14-16-7-6-11-25-16/h8-9,12-13,16H,3-7,10-11,14H2,1-2H3/b19-13+
InChIKey
CGMRIHATVJYTLI-CPNJWEJPSA-N
Synonyms

(5E)5((4butoxy3ethoxyphenyl)methylidene)3(oxolan2ylmethyl)2sulfanylidene13thiazolidin4one
(5E)5(4butoxy3ethoxybenzylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC3CCCO3)OCC
CCCCOc1ccc(cc1OCC)C=C1SC(=S)N(C1=O)CC1CCCO1
InChI=1SC21H27NO4S2c1351026179815(1218(17)2442)131920(23)22(21(27)2819)141676112516h89121316H37101114H212H3b1913+
MFCD04445775
ZINC000002811867
ZINC000002811869

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Available files

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