Vitas-M small molecule compound
(5Z)-5-({3-[2-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK599852
SMILES CC(Oc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)c1ccccc1)C
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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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-18(2)34-22-11-12-24(19(3)14-22)26-20(16-31(29-26)21-8-5-4-6-9-21)15-25-27(32)30(28(35)36-25)17-23-10-7-13-33-23/h4-6,8-9,11-12,14-16,18,23H,7,10,13,17H2,1-3H3/b25-15-InChIKey
FHURBCAQKGTEND-MYYYXRDXSA-NSynonyms
956236-20-7(5Z)5((3(2methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(2METHYL4PROPAN2YLOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4isopropoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
956236207
CC1=C(C=CC(=C1)OC(C)C)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5
InChI=1SC28H29N3O3S2c118(2)3422111224(19(3)1422)2620(1631(2926)218546921)152527(32)30(28(35)3625)1723107133323h4689111214161823H7101317H213H3b2515
MFCD03665394
ZINC000002431750
ZINC000013813664
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