Vitas-M small molecule compound

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

Catalog ID
STK813327
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2/C(=C\2/SC(=S)N(C2=O)Cc2ccc(cc2)F)/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 C29H22FN3O5S2 MW 575.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O5S2/c1-2-38-28(37)18-9-13-20(14-10-18)31-23(34)16-32-22-6-4-3-5-21(22)24(26(32)35)25-27(36)33(29(39)40-25)15-17-7-11-19(30)12-8-17/h3-14H,2,15-16H2,1H3,(H,31,34)/b25-24-
InChIKey
JJJUNVDESQGRTI-IZHYLOQSSA-N
Synonyms
617696-58-9
617696589
CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3C(=C4C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)C2=O
CCOC(=O)c1ccc(cc1)NC(=O)CN1c2ccccc2C(=C2SC(=S)N(C2=O)Cc2ccc(cc2)F)C1=O
ethyl4((((3Z)3(3(4fluorobenzyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetyl)amino)benzoate
ETHYL4((2((3Z)3(3((4FLUOROPHENYL)METHYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETYL)AMINO)BENZOATE
ETHYL4(2(3(3(4FLUOROBENZYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDO)BENZOATE
InChI=1SC29H22FN3O5S2c123828(37)1891320(141018)3123(34)163222643521(22)24(26(32)35)2527(36)33(29(39)4025)151771119(30)12817h314H21516H21H3(H3134)b2524
MFCD03535532
ZINC000100871326
ZINC100871326

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Available files

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