Vitas-M small molecule compound
(5Z)-5-({3-[4-(butylsulfanyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK706686
SMILES CCCCSc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C28H29N3O2S3 MW 535.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O2S3/c1-2-3-16-35-24-13-11-20(12-14-24)26-21(18-31(29-26)22-8-5-4-6-9-22)17-25-27(32)30(28(34)36-25)19-23-10-7-15-33-23/h4-6,8-9,11-14,17-18,23H,2-3,7,10,15-16,19H2,1H3/b25-17-InChIKey
RZMPBMXQEPFUFU-UQQQWYQISA-NSynonyms
1008879-66-0(5Z)5((3(4(butylsulfanyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTYLSULFANYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(butylthio)phenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
1008879660
CCCCSC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5
InChI=1SC28H29N3O2S3c123163524131120(121424)2621(1831(2926)228546922)172527(32)30(28(34)3625)1923107153323h46891114171823H23710151619H21H3b2517
MFCD03692037
ZINC000101017426
ZINC000101017427
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