Vitas-M small molecule compound
(5Z)-5-{[3-(3-bromo-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK821688
SMILES COc1ccc(cc1Br)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 C30H26BrN3O4S2 MW 636.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26BrN3O4S2/c1-36-24-12-10-20(16-23(24)31)28-21(18-34(32-28)22-7-5-4-6-8-22)17-27-29(35)33(30(39)40-27)14-13-19-9-11-25(37-2)26(15-19)38-3/h4-12,15-18H,13-14H2,1-3H3/b27-17-InChIKey
XBBCZDFDLRNOHW-PKAZHMFMSA-NSynonyms
(5Z)5((3(3bromo4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(3bromo4methoxyphenyl)1phenylpyrazol4yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2sulfanylidene13thiazolidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CN(N=C3C4=CC(=C(C=C4)OC)Br)C5=CC=CC=C5)SC2=S)OC
COc1ccc(cc1Br)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC30H26BrN3O4S2c13624121020(1623(24)31)2821(1834(3228)227546822)172729(35)33(30(39)4027)14131991125(372)26(1519)383h4121518H1314H213H3b2717
MFCD03462950
ZINC000097946950
ZINC97946950
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