Vitas-M small molecule compound
(5Z)-3-hexyl-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799015
SMILES CCCCCCOc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCCCCC)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 C31H37N3O2S2 MW 547.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H37N3O2S2/c1-3-5-7-12-20-33-30(35)28(38-31(33)37)22-25-23-34(26-14-10-9-11-15-26)32-29(25)24-16-18-27(19-17-24)36-21-13-8-6-4-2/h9-11,14-19,22-23H,3-8,12-13,20-21H2,1-2H3/b28-22-InChIKey
CJMUQMKOTSAHGC-SLMZUGIISA-NSynonyms
(5Z)3hexyl5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCCCC)C4=CC=CC=C4)SC1=S
CCCCCCOc1ccc(cc1)c1nn(cc1C=C1SC(=S)N(C1=O)CCCCCC)c1ccccc1
InChI=1SC31H37N3O2S2c135712203330(35)28(3831(33)37)22252334(2614109111526)3229(25)24161827(191724)3621138642h91114192223H3812132021H212H3b2822
MFCD03462201
ZINC000097946226
ZINC97946226
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