Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-cyclohexyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK813754
SMILES COc1ccc(cc1Cl)c1nn(cc1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C26H24ClN3O2S2 MW 510.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24ClN3O2S2/c1-32-22-13-12-17(14-21(22)27)24-18(16-29(28-24)19-8-4-2-5-9-19)15-23-25(31)30(26(33)34-23)20-10-6-3-7-11-20/h2,4-5,8-9,12-16,20H,3,6-7,10-11H2,1H3/b23-15-InChIKey
STFOIKQNCAETAX-HAHDFKILSA-NSynonyms
(5Z)5((3(3chloro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3cyclohexyl2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3CYCLOHEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
5((3(3CHLORO4METHOXYPHENYL)1PHENYL1HPYRAZOL4YL)METHYLENE)3CYCLOHEXYL2THIOXOTHIAZOLIDIN4ONE
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)C4CCCCC4)C5=CC=CC=C5)Cl
COc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)C1CCCCC1)c1ccccc1
InChI=1SC26H24ClN3O2S2c13222131217(1421(22)27)2418(1629(2824)198425919)152325(31)30(26(33)3423)20106371120h24589121620H3671011H21H3b2315
MFCD03514204
ZINC000002508820
ZINC02508820
ZINC2508820
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