Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(3-phenyl-1H-pyrazol-4-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK810967
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c[nH]nc3c3ccccc3)/C2=O)ccc1OC
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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 C23H21N3O3S2 MW 451.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O3S2/c1-28-18-9-8-15(12-19(18)29-2)10-11-26-22(27)20(31-23(26)30)13-17-14-24-25-21(17)16-6-4-3-5-7-16/h3-9,12-14H,10-11H2,1-2H3,(H,24,25)/b20-13-InChIKey
SAIQRIGOHNIJSC-MOSHPQCFSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((5PHENYL1HPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((3phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(NN=C3)C4=CC=CC=C4)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(nH)nc3c3ccccc3)C2=O)ccc1OC
InChI=1SC23H21N3O3S2c128189815(1219(18)292)10112622(27)20(3123(26)30)131714242521(17)166435716h391214H1011H212H3(H2425)b2013
MFCD03663331
ZINC000009360850
ZINC09360850
ZINC9360850
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