Vitas-M small molecule compound

ethyl 4-({[(3Z)-2-oxo-3-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1H-indol-1-yl]acetyl}amino)benzoate

Catalog ID
STK702196
SMILES CCCN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2ccc(cc2)C(=O)OCC)/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 C25H23N3O5S2 MW 509.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5S2/c1-3-13-27-23(31)21(35-25(27)34)20-17-7-5-6-8-18(17)28(22(20)30)14-19(29)26-16-11-9-15(10-12-16)24(32)33-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,26,29)/b21-20-
InChIKey
HBVSJJASGJZRJA-MRCUWXFGSA-N
Synonyms

(Z)ethyl4(2(2oxo3(4oxo3propyl2thioxothiazolidin5ylidene)indolin1yl)acetamido)benzoate
CCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C(=O)OCC)SC1=S
CCCN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2ccc(cc2)C(=O)OCC)C1=O
ethyl4((((3Z)2oxo3(4oxo3propyl2thioxo13thiazolidin5ylidene)23dihydro1Hindol1yl)acetyl)amino)benzoate
ETHYL4((2((3Z)2OXO3(4OXO3PROPYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)INDOL1YL)ACETYL)AMINO)BENZOATE
InChI=1SC25H23N3O5S2c13132723(31)21(3525(27)34)2017756818(17)28(22(20)30)1419(29)261611915(101216)24(32)3342h512H341314H212H3(H2629)b2120
MFCD02995151
ZINC000001744260
ZINC01744260
ZINC1744260

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Available files

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