Vitas-M small molecule compound
(5Z)-5-[(1-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-1-phenyl-3-propyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK199852
SMILES CCCN1C(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)OCc2ccc(cc2Cl)Cl)C)/C(=O)N(C1=S)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 C33H29Cl2N3O3S MW 618.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29Cl2N3O3S/c1-4-16-36-31(39)29(32(40)38(33(36)42)26-8-6-5-7-9-26)18-24-17-21(2)37(22(24)3)27-12-14-28(15-13-27)41-20-23-10-11-25(34)19-30(23)35/h5-15,17-19H,4,16,20H2,1-3H3/b29-18-InChIKey
UTCWUWFQJRQECR-MIXAMLLLSA-NSynonyms
(5Z)5((1(4((24DICHLOROBENZYL)OXY)PHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1PHENYL3PROPYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(4((24DICHLOROPHENYL)METHOXY)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PHENYL3PROPYL2SULFANYLIDENE13DIAZINANE46DIONE
CCCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)C)C(=O)N(C1=S)C5=CC=CC=C5
CCCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)OCc2ccc(cc2Cl)Cl)C)C(=O)N(C1=S)c1ccccc1
InChI=1SC33H29Cl2N3O3Sc14163631(39)29(32(40)38(33(36)42)268657926)18241721(2)37(22(24)3)27121428(151327)412023101125(34)1930(23)35h5151719H41620H213H3b2918
MFCD03729693
ZINC000097960987
ZINC97960987
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.