Vitas-M small molecule compound

2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}-3-phenylpropanoic acid

Catalog ID
STK548372
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1

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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 C27H31NO4S2 MW 497.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4S2/c1-2-3-4-5-6-10-17-32-22-15-13-21(14-16-22)19-24-25(29)28(27(33)34-24)23(26(30)31)18-20-11-8-7-9-12-20/h7-9,11-16,19,23H,2-6,10,17-18H2,1H3,(H,30,31)/b24-19-
InChIKey
FNXJEQANBWIXSM-CLCOLTQESA-N
Synonyms

(Z)2(5(4(octyloxy)benzylidene)4oxo2thioxothiazolidin3yl)3phenylpropanoicacid
2((5Z)5((4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)3PHENYLPROPANOICACID
2((5Z)5(4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)3phenylpropanoicacid
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CC3=CC=CC=C3)C(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)C(C(=O)O)Cc1ccccc1
InChI=1SC27H31NO4S2c12345610173222151321(141622)192425(29)28(27(33)3424)23(26(30)31)1820118791220h7911161923H26101718H21H3(H3031)b2419
MFCD03662762
ZINC000100908842
ZINC000100908844

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Available files

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