Vitas-M small molecule compound
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK880702
SMILES COc1ccc(cc1OC)CCN1C(=S)S/C(=C\c2cn(nc2c2ccc(c(c2)OC)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 C31H29N3O5S2 MW 587.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O5S2/c1-36-24-12-10-20(16-26(24)38-3)14-15-33-30(35)28(41-31(33)40)18-22-19-34(23-8-6-5-7-9-23)32-29(22)21-11-13-25(37-2)27(17-21)39-4/h5-13,16-19H,14-15H2,1-4H3/b28-18-InChIKey
HXFOPHSEXXMVAB-VEILYXNESA-NSynonyms
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(34dimethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2thioxo13thiazolidin4one
(5Z)3(2(34dimethoxyphenyl)ethyl)5((3(34dimethoxyphenyl)1phenylpyrazol4yl)methylidene)2sulfanylidene13thiazolidin4one
3(34DIMETHOXYPHENETHYL)5((3(34DIMETHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)2THIOXOTHIAZOLIDIN4ONE
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)SC2=S)OC
COc1ccc(cc1OC)CCN1C(=S)SC(=Cc2cn(nc2c2ccc(c(c2)OC)OC)c2ccccc2)C1=O
InChI=1SC31H29N3O5S2c13624121020(1626(24)383)14153330(35)28(4131(33)40)18221934(238657923)3229(22)21111325(372)27(1721)394h5131619H1415H214H3b2818
MFCD04441299
ZINC000100870992
ZINC100870992
Check stock
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Check stock on Vitas-MAvailable files
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