Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-({3-[4-(ethylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK516481
SMILES COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2)S(=O)(=O)CC)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 C31H29N3O5S3 MW 619.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5S3/c1-4-42(36,37)25-13-11-22(12-14-25)29-23(20-34(32-29)24-8-6-5-7-9-24)19-28-30(35)33(31(40)41-28)17-16-21-10-15-26(38-2)27(18-21)39-3/h5-15,18-20H,4,16-17H2,1-3H3/b28-19-InChIKey
WVQCRDDGAKALPV-USHMODERSA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4(ethylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(4ethylsulfonylphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
CCS(=O)(=O)C1=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)S(=O)(=O)CC)c2ccccc2)C1=O
InChI=1SC31H29N3O5S3c1442(3637)25131122(121425)2923(2034(3229)248657924)192830(35)33(31(40)4128)171621101526(382)27(1821)393h5151820H41617H213H3b2819
MFCD06645670
ZINC000097946793
ZINC97946793
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