Vitas-M small molecule compound

4-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[2-(4-hydroxyphenyl)ethyl]butanamide

Catalog ID
STK600742
SMILES O=C(NCCc1ccc(cc1)O)CCCN1C(=S)S/C(=C\c2ccc(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 C22H21FN2O3S2 MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O3S2/c23-17-7-3-16(4-8-17)14-19-21(28)25(22(29)30-19)13-1-2-20(27)24-12-11-15-5-9-18(26)10-6-15/h3-10,14,26H,1-2,11-13H2,(H,24,27)/b19-14-
InChIKey
YJFSOUTZZHSGJD-RGEXLXHISA-N
Synonyms
904506-71-4
(Z)4(5(4fluorobenzylidene)4oxo2thioxothiazolidin3yl)N(4hydroxyphenethyl)butanamide
4((5Z)5((4FLUOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(2(4HYDROXYPHENYL)ETHYL)BUTANAMIDE
4((5Z)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)N(2(4hydroxyphenyl)ethyl)butanamide
4(5((4FLUOROPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(2(4HYDROXYPHENYL)ETHYL)BUTANAMIDE
904506714
C1=CC(=CC=C1CCNC(=O)CCCN2C(=O)C(=CC3=CC=C(C=C3)F)SC2=S)O
InChI=1SC22H21FN2O3S2c23177316(4817)141921(28)25(22(29)3019)131220(27)241211155918(26)10615h3101426H121113H2(H2427)b1914
MFCD06793590
O=C(NCCc1ccc(cc1)O)CCCN1C(=S)SC(=Cc2ccc(cc2)F)C1=O
ZINC000009429847
ZINC09429847
ZINC9429847

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Available files

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