Vitas-M small molecule compound

methyl 2-{[(E)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]amino}benzoate

Catalog ID
STK719341
SMILES CCCN1C(=S)S/C(=C/Nc2ccccc2C(=O)OC)/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 C15H16N2O3S2 MW 336.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N2O3S2/c1-3-8-17-13(18)12(22-15(17)21)9-16-11-7-5-4-6-10(11)14(19)20-2/h4-7,9,16H,3,8H2,1-2H3/b12-9+
InChIKey
GNBXIMYEPMEXBS-FMIVXFBMSA-N
Synonyms

(E)methyl2(((4oxo3propyl2thioxothiazolidin5ylidene)methyl)amino)benzoate
CCCN1C(=O)C(=CNC2=CC=CC=C2C(=O)OC)SC1=S
CCCN1C(=S)SC(=CNc2ccccc2C(=O)OC)C1=O
InChI=1SC15H16N2O3S2c1381713(18)12(2215(17)21)91611754610(11)14(19)202h47916H38H212H3b129+
methyl2(((E)(4oxo3propyl2sulfanylidene13thiazolidin5ylidene)methyl)amino)benzoate
methyl2(((E)(4oxo3propyl2thioxo13thiazolidin5ylidene)methyl)amino)benzoate
MFCD09792281
ZINC000009422465
ZINC09422465
ZINC9422465

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.