Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-4-(prop-2-en-1-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811250
SMILES C=CCOc1ccc(c(c1)C)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 C28H27N3O3S2 MW 517.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S2/c1-3-13-33-22-11-12-24(19(2)15-22)26-20(17-31(29-26)21-8-5-4-6-9-21)16-25-27(32)30(28(35)36-25)18-23-10-7-14-34-23/h3-6,8-9,11-12,15-17,23H,1,7,10,13-14,18H2,2H3/b25-16-InChIKey
TYNGXDIMNHUJIF-XYGWBWBKSA-NSynonyms
955867-17-1(5Z)5((3(2methyl4(prop2en1yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(2METHYL4PROP2ENOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4(allyloxy)2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
955867171
CC1=C(C=CC(=C1)OCC=C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5
InChI=1SC28H27N3O3S2c13133322111224(19(2)1522)2620(1731(2926)218546921)162527(32)30(28(35)3625)1823107143423h36891112151723H1710131418H22H3b2516
MFCD03667081
ZINC000002377919
ZINC000013646683
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