Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-({1-phenyl-3-[4-(propan-2-yloxy)phenyl]-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK703085
SMILES COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)/C1=O
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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/c1-21(2)39-26-13-11-23(12-14-26)30-24(20-35(33-30)25-8-6-5-7-9-25)19-29-31(36)34(32(40)41-29)17-16-22-10-15-27(37-3)28(18-22)38-4/h5-15,18-21H,16-17H2,1-4H3/b29-19-InChIKey
BOUKIPYXEUIKAG-CEUNXORHSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((1phenyl3(4(propan2yloxy)phenyl)1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34DIMETHOXYPHENYL)ETHYL)5((1PHENYL3(4PROPAN2YLOXYPHENYL)PYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(34dimethoxyphenethyl)5((3(4isopropoxyphenyl)1phenyl1Hpyrazol4yl)methylene)2thioxothiazolidin4one
CC(C)OC1=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
COc1ccc(cc1OC)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2)OC(C)C)c2ccccc2)C1=O
InChI=1SC32H31N3O4S2c121(2)3926131123(121426)3024(2035(3330)258657925)192931(36)34(32(40)4129)171622101527(373)28(1822)384h5151821H1617H214H3b2919
MFCD02996490
ZINC000097946230
ZINC97946230
Check stock
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Check stock on Vitas-MAvailable files
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