Vitas-M small molecule compound

(5Z)-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK799200
SMILES 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 C27H27N3O3S2 MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O3S2/c1-3-32-21-11-12-23(18(2)14-21)25-19(16-30(28-25)20-8-5-4-6-9-20)15-24-26(31)29(27(34)35-24)17-22-10-7-13-33-22/h4-6,8-9,11-12,14-16,22H,3,7,10,13,17H2,1-2H3/b24-15-
InChIKey
ZSCHDGGNGVOXAO-IWIPYMOSSA-N
Synonyms
955867-52-4
(5Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
955867524
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CC4CCCO4)C5=CC=CC=C5)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CC1CCCO1)c1ccccc1
InChI=1SC27H27N3O3S2c133221111223(18(2)1421)2519(1630(2825)208546920)152426(31)29(27(34)3524)1722107133322h46891112141622H37101317H212H3b2415
MFCD03418467
ZINC000013646941
ZINC000013646944

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Available files

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