Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(4-ethoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK799197
SMILES CCOc1ccc(c(c1)C)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)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 C32H31N3O4S2 MW 585.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O4S2/c1-5-39-25-12-13-26(21(2)17-25)30-23(20-35(33-30)24-9-7-6-8-10-24)19-29-31(36)34(32(40)41-29)16-15-22-11-14-27(37-3)28(18-22)38-4/h6-14,17-20H,5,15-16H2,1-4H3/b29-19-InChIKey
ACLUPVYXKYRDAO-CEUNXORHSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4ethoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((3(4ETHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=CC(=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)C
CCOc1ccc(c(c1)C)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC32H31N3O4S2c153925121326(21(2)1725)3023(2035(3330)2497681024)192931(36)34(32(40)4129)161522111427(373)28(1822)384h6141720H51516H214H3b2919
MFCD03418465
ZINC000100839800
ZINC100839800
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