Vitas-M small molecule compound

ethyl 4-({6-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]hexanoyl}amino)benzoate

Catalog ID
STK984479
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCCCCN1C(=S)S/C(=C\c2ccc(cc2)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 C26H28N2O5S2 MW 512.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N2O5S2/c1-3-33-25(31)19-10-12-20(13-11-19)27-23(29)7-5-4-6-16-28-24(30)22(35-26(28)34)17-18-8-14-21(32-2)15-9-18/h8-15,17H,3-7,16H2,1-2H3,(H,27,29)/b22-17-
InChIKey
AOKPPAFHQURVAK-XLNRJJMWSA-N
Synonyms
300378-25-0
(Z)ethyl4(6(5(4methoxybenzylidene)4oxo2thioxothiazolidin3yl)hexanamido)benzoate
300378250
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCCCN2C(=O)C(=CC3=CC=C(C=C3)OC)SC2=S
CCOC(=O)c1ccc(cc1)NC(=O)CCCCCN1C(=S)SC(=Cc2ccc(cc2)OC)C1=O
ethyl4((6((5Z)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)hexanoyl)amino)benzoate
ETHYL4(6((5Z)5((4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOYLAMINO)BENZOATE
ETHYL4(6(5((4METHOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)HEXANOYLAMINO)BENZOATE
InChI=1SC26H28N2O5S2c133325(31)19101220(131119)2723(29)7546162824(30)22(3526(28)34)171881421(322)15918h81517H3716H212H3(H2729)b2217
MFCD01035552
ZINC000006599858
ZINC06599858
ZINC6599858

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Available files

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