Vitas-M small molecule compound
(5Z)-3-cyclohexyl-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799057
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C31H35N3O2S2 MW 545.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35N3O2S2/c1-2-3-4-11-20-36-27-18-16-23(17-19-27)29-24(22-33(32-29)25-12-7-5-8-13-25)21-28-30(35)34(31(37)38-28)26-14-9-6-10-15-26/h5,7-8,12-13,16-19,21-22,26H,2-4,6,9-11,14-15,20H2,1H3/b28-21-InChIKey
UYFLZQZHJANCQP-HFTWOUSFSA-NSynonyms
955875-02-2(5Z)3cyclohexyl5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3CYCLOHEXYL5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3cyclohexyl5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
955875022
CCCCCCOC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC31H35N3O2S2c123411203627181623(171927)2924(2233(3229)25127581325)212830(35)34(31(37)3828)261496101526h57812131619212226H246911141520H21H3b2821
MFCD03462235
ZINC000100839706
ZINC100839706
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