Vitas-M small molecule compound

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

Catalog ID
STK811463
SMILES COc1ccc(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 C32H37N3O4S2 MW 591.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O4S2/c1-23-20-24(17-18-27(23)39-2)30-25(22-35(33-30)26-14-10-9-11-15-26)21-28-31(38)34(32(40)41-28)19-13-8-6-4-3-5-7-12-16-29(36)37/h9-11,14-15,17-18,20-22H,3-8,12-13,16,19H2,1-2H3,(H,36,37)/b28-21-
InChIKey
RYKYQTFVUJHBCT-HFTWOUSFSA-N
Synonyms

11((5Z)5((3(4methoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4METHOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CC1=C(C=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4)OC
COc1ccc(cc1C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC32H37N3O4S2c1232024(171827(23)392)3025(2235(3330)2614109111526)212831(38)34(32(40)4128)1913864357121629(36)37h911141517182022H3812131619H212H3(H3637)b2821
MFCD06264857
ZINC000097946435
ZINC97946435

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Available files

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