Vitas-M small molecule compound
(5E)-5-[3-chloro-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(4-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187467
SMILES C=CCOc1c(Cl)cc(cc1OC)/C=C/1\C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
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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 C21H16ClFN2O4S MW 446.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN2O4S/c1-3-8-29-18-16(22)10-12(11-17(18)28-2)9-15-19(26)24-21(30)25(20(15)27)14-6-4-13(23)5-7-14/h3-7,9-11H,1,8H2,2H3,(H,24,26,30)/b15-9+InChIKey
BVXPAIYPDVNWDM-OQLLNIDSSA-NSynonyms
(5E)5((3CHLORO5METHOXY4PROP2ENOXYPHENYL)METHYLIDENE)1(4FLUOROPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)5(3CHLORO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5(4(ALLYLOXY)3CHLORO5METHOXYBENZYLIDENE)1(4FLUOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1c(Cl)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)F
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)Cl)OCC=C
InChI=1SC21H16ClFN2O4Sc138291816(22)1012(1117(18)282)91519(26)2421(30)25(20(15)27)146413(23)5714h37911H18H22H3(H242630)b159+
MFCD03700145
ZINC000008399497
ZINC08399497
ZINC8399497
Check stock
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Check stock on Vitas-MAvailable files
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