Vitas-M small molecule compound
(5E)-5-(3,4-dihydroquinolin-1(2H)-ylmethylidene)-1-(2-fluorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL371781
SMILES O=C1NC(=S)N(C(=O)/C/1=C/N1CCCc2c1cccc2)c1ccccc1F
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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 C20H16FN3O2S MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16FN3O2S/c21-15-8-2-4-10-17(15)24-19(26)14(18(25)22-20(24)27)12-23-11-5-7-13-6-1-3-9-16(13)23/h1-4,6,8-10,12H,5,7,11H2,(H,22,25,27)/b14-12+InChIKey
WDVBWGRNZZCPBS-WYMLVPIESA-NSynonyms
(5E)5(34dihydro2Hquinolin1ylmethylidene)1(2fluorophenyl)2sulfanylidene13diazinane46dione
(5E)5(34dihydroquinolin1(2H)ylmethylidene)1(2fluorophenyl)2thioxodihydropyrimidine46(1H5H)dione
C1CC2=CC=CC=C2N(C1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC=C4F
InChI=1SC20H16FN3O2Sc21158241017(15)2419(26)14(18(25)2220(24)27)1223115713613916(13)23h14681012H5711H2(H222527)b1412+
MFCD03552328
O=C1NC(=S)N(C(=O)C1=CN1CCCc2c1cccc2)c1ccccc1F
ZINC000098086613
ZINC98086613
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