Vitas-M small molecule compound
(5Z)-3-heptyl-5-({3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799014
SMILES CCCCCCCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OCCCCCC)c2ccccc2)/C1=O
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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 C32H39N3O2S2 MW 561.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39N3O2S2/c1-3-5-7-9-13-21-34-31(36)29(39-32(34)38)23-26-24-35(27-15-11-10-12-16-27)33-30(26)25-17-19-28(20-18-25)37-22-14-8-6-4-2/h10-12,15-20,23-24H,3-9,13-14,21-22H2,1-2H3/b29-23-InChIKey
LXJLRYTVRDWGTI-FAJYDZGRSA-NSynonyms
(5Z)3heptyl5((3(4(hexyloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3HEPTYL5((3(4HEXOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCCCCCCN1C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)OCCCCCC)C4=CC=CC=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OCCCCCC)c2ccccc2)C1=O
InChI=1SC32H39N3O2S2c1357913213431(36)29(3932(34)38)23262435(27151110121627)3330(26)25171928(201825)3722148642h101215202324H3913142122H212H3b2923
MFCD03462200
ZINC000097946399
ZINC97946399
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