Vitas-M small molecule compound

1-{4-[(5Z)-5-(4-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}piperidine-4-carboxylic acid

Catalog ID
STK608966
SMILES COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)N1CCC(CC1)C(=O)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 C21H24N2O5S2 MW 448.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O5S2/c1-28-16-6-4-14(5-7-16)13-17-19(25)23(21(29)30-17)10-2-3-18(24)22-11-8-15(9-12-22)20(26)27/h4-7,13,15H,2-3,8-12H2,1H3,(H,26,27)/b17-13-
InChIKey
UICRQGGPTYDUCP-LGMDPLHJSA-N
Synonyms
892631-18-4
(Z)1(4(5(4methoxybenzylidene)4oxo2thioxothiazolidin3yl)butanoyl)piperidine4carboxylicacid
1(4((5Z)5((4METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOYL)PIPERIDINE4CARBOXYLICACID
1(4((5Z)5(4methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)butanoyl)piperidine4carboxylicacid
1(4(5((4METHOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOYL)PIPERIDINE4CARBOXYLICACID
892631184
COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)N3CCC(CC3)C(=O)O
COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)N1CCC(CC1)C(=O)O
InChI=1SC21H24N2O5S2c128166414(5716)131719(25)23(21(29)3017)102318(24)2211815(91222)20(26)27h471315H23812H21H3(H2627)b1713
MFCD06794571
ZINC000009042137
ZINC9042137

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Available files

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