Vitas-M small molecule compound
(5E)-5-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxy-5-(prop-2-en-1-yl)benzylidene}-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK188073
SMILES C=CCc1cc(/C=C/2\C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1Cl)Cl)OC
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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 C28H21Cl2FN2O4S MW 571.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21Cl2FN2O4S/c1-3-4-17-11-16(13-24(36-2)25(17)37-15-18-5-6-19(29)14-23(18)30)12-22-26(34)32-28(38)33(27(22)35)21-9-7-20(31)8-10-21/h3,5-14H,1,4,15H2,2H3,(H,32,34,38)/b22-12+InChIKey
AZCKAXLTSWFKAM-WSDLNYQXSA-NSynonyms
(5E)5((4((24DICHLOROPHENYL)METHOXY)3METHOXY5PROP2ENYLPHENYL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(4((24DICHLOROBENZYL)OXY)3METHOXY5(PROP2EN1YL)BENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCc1cc(C=C2C(=O)NC(=S)N(C2=O)c2ccc(cc2)F)cc(c1OCc1ccc(cc1Cl)Cl)OC
COC1=CC(=CC(=C1OCC2=C(C=C(C=C2)Cl)Cl)CC=C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
InChI=1SC28H21Cl2FN2O4Sc134171116(1324(362)25(17)3715185619(29)1423(18)30)122226(34)3228(38)33(27(22)35)219720(31)81021h3514H1415H22H3(H323438)b2212+
MFCD04526844
ZINC000097960918
ZINC97960918
Check stock
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Check stock on Vitas-MAvailable files
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