Vitas-M small molecule compound

3-[(5E)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-[3-(morpholin-4-yl)propyl]propanamide

Catalog ID
STK836558
SMILES COc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCC(=O)NCCCN1CCOCC1

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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 C21H27N3O4S2 MW 449.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O4S2/c1-27-17-5-3-16(4-6-17)15-18-20(26)24(21(29)30-18)10-7-19(25)22-8-2-9-23-11-13-28-14-12-23/h3-6,15H,2,7-14H2,1H3,(H,22,25)/b18-15+
InChIKey
KXSNVVSYKOZLSU-OBGWFSINSA-N
Synonyms

(E)3(5(4methoxybenzylidene)4oxo2thioxothiazolidin3yl)N(3morpholinopropyl)propanamidehydrochloride
3((5E)5((4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(3MORPHOLIN4YLPROPYL)PROPANAMIDE
3((5E)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)N(3(morpholin4yl)propyl)propanamide
3(5((4METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))N(3MORPHOLIN4YLPROPYL)PROPANAMIDE
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NCCCN3CCOCC3
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)NCCCN1CCOCC1
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)NCCCN1CCOCC1Cl
InChI=1SC21H27N3O4S2c127175316(4617)151820(26)24(21(29)3018)10719(25)2282923111328141223h3615H2714H21H3(H2225)b1815+
MFCD01953299
ZINC000013774556
ZINC13774556

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Available files

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