Vitas-M small molecule compound
(5Z)-5-{[3-(3-chloro-4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK815617
SMILES CCOc1ccc(cc1Cl)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 C31H28ClN3O4S2 MW 606.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClN3O4S2/c1-4-39-25-13-11-21(17-24(25)32)29-22(19-35(33-29)23-8-6-5-7-9-23)18-28-30(36)34(31(40)41-28)15-14-20-10-12-26(37-2)27(16-20)38-3/h5-13,16-19H,4,14-15H2,1-3H3/b28-18-InChIKey
PUEUJRYLJQEBHN-VEILYXNESA-NSynonyms
(5Z)5((3(3chloro4ethoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)3(2(34dimethoxyphenyl)ethyl)2thioxo13thiazolidin4one
(5Z)5((3(3CHLORO4ETHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(2(34DIMETHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)S3)CCC4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5)Cl
CCOc1ccc(cc1Cl)c1nn(cc1C=C1SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC)c1ccccc1
InChI=1SC31H28ClN3O4S2c143925131121(1724(25)32)2922(1935(3329)238657923)182830(36)34(31(40)4128)151420101226(372)27(1620)383h5131619H41415H213H3b2818
MFCD04442726
ZINC000097946525
ZINC97946525
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