Vitas-M small molecule compound
(5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK556450
SMILES CCCCOc1cccc(c1)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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-2-3-14-33-23-12-7-9-20(16-23)26-21(18-31(29-26)22-10-5-4-6-11-22)17-25-27(32)30(28(35)36-25)19-24-13-8-15-34-24/h4-7,9-12,16-18,24H,2-3,8,13-15,19H2,1H3/b25-17-InChIKey
VLIKFKMFMBMALN-UQQQWYQISA-NSynonyms
1009189-09-6(5Z)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(3BUTOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(3butoxyphenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
1009189096
CCCCOC1=CC=CC(=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5
InChI=1SC28H29N3O3S2c123143323127920(1623)2621(1831(2926)22105461122)172527(32)30(28(35)3625)1924138153424h47912161824H238131519H21H3b2517
MFCD04018049
ZINC000009470264
ZINC000009470269
ZINC000034895090
ZINC000034895091
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