Vitas-M small molecule compound
11-[(5Z)-5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]undecanoic acid
Catalog ID
STK811799
SMILES COc1ccc(c(c1)C)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/c1-23-20-26(39-2)17-18-27(23)30-24(22-35(33-30)25-14-10-9-11-15-25)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
GYBYWJZNQAEXHP-HFTWOUSFSA-NSynonyms
11((5Z)5((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)4oxo2thioxo13thiazolidin3yl)undecanoicacid
11((5Z)5((3(4METHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)UNDECANOICACID
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCCCCCCCCCC(=O)O)C4=CC=CC=C4
COc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCCCCCCC(=O)O)c1ccccc1
InChI=1SC32H37N3O4S2c1232026(392)171827(23)3024(2235(3330)2514109111525)212831(38)34(32(40)4128)1913864357121629(36)37h911141517182022H3812131619H212H3(H3637)b2821
MFCD06264934
ZINC000097946468
ZINC97946468
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