Vitas-M small molecule compound
(5Z)-5-[(3-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1-phenyl-1H-pyrazol-4-yl)methylidene]-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK811895
SMILES Clc1ccc(c(c1)Cl)COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)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 C31H25Cl2N3O3S2 MW 622.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Cl2N3O3S2/c32-23-11-8-21(27(33)16-23)19-39-25-12-9-20(10-13-25)29-22(17-36(34-29)24-5-2-1-3-6-24)15-28-30(37)35(31(40)41-28)18-26-7-4-14-38-26/h1-3,5-6,8-13,15-17,26H,4,7,14,18-19H2/b28-15-InChIKey
KNOLIQMDHDLVSN-MBTHVWNTSA-NSynonyms
(5Z)5((3(4((24dichlorobenzyl)oxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin4one
(5Z)5((3(4((24DICHLOROPHENYL)METHOXY)PHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
C1CC(OC1)CN2C(=O)C(=CC3=CN(N=C3C4=CC=C(C=C4)OCC5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6)SC2=S
InChI=1SC31H25Cl2N3O3S2c322311821(27(33)1623)19392512920(101325)2922(1736(3429)245213624)152830(37)35(31(40)4128)182674143826h1356813151726H47141819H2b2815
MFCD06264943
ZINC000097946469
ZINC000097946470
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