Vitas-M small molecule compound
(5Z)-5-{[3-(4-butoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(2-methoxyethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811899
SMILES CCCCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCOC)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 C27H29N3O3S2 MW 507.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O3S2/c1-4-5-14-33-22-11-12-23(19(2)16-22)25-20(18-30(28-25)21-9-7-6-8-10-21)17-24-26(31)29(13-15-32-3)27(34)35-24/h6-12,16-18H,4-5,13-15H2,1-3H3/b24-17-InChIKey
DUQXIMIMSSPTDB-ULJHMMPZSA-NSynonyms
955862-41-6(5Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2methoxyethyl)2thioxo13thiazolidin4one
(5Z)5((3(4BUTOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2METHOXYETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((3(4butoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylene)3(2methoxyethyl)2thioxothiazolidin4one
955862416
CCCCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCOC)C4=CC=CC=C4)C
CCCCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCOC)c1ccccc1
InChI=1SC27H29N3O3S2c145143322111223(19(2)1622)2520(1830(2825)2197681021)172426(31)29(1315323)27(34)3524h6121618H451315H213H3b2417
MFCD03663464
ZINC000009360954
ZINC09360954
ZINC9360954
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