Vitas-M small molecule compound
(5Z)-5-{[1-benzyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK435724
SMILES COc1cc(ccc1OC)c1nn(cc1/C=C/1\SC(=S)NC1=O)Cc1ccccc1
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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 C22H19N3O3S2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O3S2/c1-27-17-9-8-15(10-18(17)28-2)20-16(11-19-21(26)23-22(29)30-19)13-25(24-20)12-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,23,26,29)/b19-11-InChIKey
FWLREJWSKPGFSX-ODLFYWEKSA-NSynonyms
(5Z)5((1benzyl3(34dimethoxyphenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)5((1BENZYL3(34DIMETHOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(34DIMETHOXYPHENYL)1BENZYLPYRAZOL4YL)METHYLENE)2THIOXO13THIAZOLIDIN4ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)CC4=CC=CC=C4)OC
COc1cc(ccc1OC)c1nn(cc1C=C1SC(=S)NC1=O)Cc1ccccc1
InChI=1SC22H19N3O3S2c127179815(1018(17)282)2016(111921(26)2322(29)3019)1325(2420)12146435714h31113H12H212H3(H232629)b1911
MFCD04054407
ZINC000017101542
ZINC17101542
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