Vitas-M small molecule compound

ethyl 4-({3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoate

Catalog ID
STK994306
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CCN1C(=S)S/C(=C\c2ccc3c(c2)OCO3)/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 C23H20N2O6S2 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O6S2/c1-2-29-22(28)15-4-6-16(7-5-15)24-20(26)9-10-25-21(27)19(33-23(25)32)12-14-3-8-17-18(11-14)31-13-30-17/h3-8,11-12H,2,9-10,13H2,1H3,(H,24,26)/b19-12-
InChIKey
JLMDPUGJVGWRKQ-UNOMPAQXSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S
CCOC(=O)c1ccc(cc1)NC(=O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ethyl4((3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoate
ETHYL4(3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOATE
ETHYL4(3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOATE
InChI=1SC23H20N2O6S2c122922(28)154616(7515)2420(26)9102521(27)19(3323(25)32)1214381718(1114)31133017h381112H291013H21H3(H2426)b1912
MFCD02078552
ZINC000001767778
ZINC01767778
ZINC1767778

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Available files

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