Vitas-M small molecule compound

11-[(5Z)-5-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid

Catalog ID
STK823129
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1

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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 C34H41N3O4S2 MW 619.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O4S2/c1-3-21-41-29-19-18-26(22-25(29)2)32-27(24-37(35-32)28-15-11-10-12-16-28)23-30-33(40)36(34(42)43-30)20-14-9-7-5-4-6-8-13-17-31(38)39/h10-12,15-16,18-19,22-24H,3-9,13-14,17,20-21H2,1-2H3,(H,38,39)/b30-23-
InChIKey
FWQFUUDIUDRFBM-WMMMYUQOSA-N
Synonyms

11((5Z)5((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(3METHYL4PROPOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)C
CCCOc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC34H41N3O4S2c13214129191826(2225(29)2)3227(2437(3532)28151110121628)233033(40)36(34(42)4330)2014975468131731(38)39h1012151618192224H391314172021H212H3(H3839)b3023
MFCD03463672
ZINC000097947140
ZINC97947140

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Available files

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