Vitas-M small molecule compound
(5Z)-3-[2-(2,4-dimethoxyphenyl)ethyl]-5-{[3-(4-methoxy-2-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811684
SMILES COc1ccc(c(c1)OC)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(cc2C)OC)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 C31H29N3O4S2 MW 571.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O4S2/c1-20-16-24(36-2)12-13-26(20)29-22(19-34(32-29)23-8-6-5-7-9-23)17-28-30(35)33(31(39)40-28)15-14-21-10-11-25(37-3)18-27(21)38-4/h5-13,16-19H,14-15H2,1-4H3/b28-17-InChIKey
VBOXIKRWTMGXKZ-QRQIAZFYSA-NSynonyms
(5Z)3(2(24dimethoxyphenyl)ethyl)5((3(4methoxy2methylphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(24DIMETHOXYPHENYL)ETHYL)5((3(4METHOXY2METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=C(C=CC(=C1)OC)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5
COc1ccc(c(c1)OC)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(cc2C)OC)c2ccccc2)C1=O
InChI=1SC31H29N3O4S2c1201624(362)121326(20)2922(1934(3229)238657923)172830(35)33(31(39)4028)151421101125(373)1827(21)384h5131619H1415H214H3b2817
MFCD06264921
ZINC000097946629
ZINC97946629
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