Vitas-M small molecule compound
(5E)-1-(4-fluorophenyl)-5-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368102
SMILES Fc1ccc(cc1)N1C(=S)NC(=O)/C(=C\N2CCN(CC2)C(=O)c2ccco2)/C1=O
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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 C20H17FN4O4S MW 428.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN4O4S/c21-13-3-5-14(6-4-13)25-18(27)15(17(26)22-20(25)30)12-23-7-9-24(10-8-23)19(28)16-2-1-11-29-16/h1-6,11-12H,7-10H2,(H,22,26,30)/b15-12+InChIKey
JRFMHVXAOFPHQM-NTCAYCPXSA-NSynonyms
(5E)1(4fluorophenyl)5((4(furan2carbonyl)piperazin1yl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(4fluorophenyl)5((4(furan2ylcarbonyl)piperazin1yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)F)C(=O)C4=CC=CO4
Fc1ccc(cc1)N1C(=S)NC(=O)C(=CN2CCN(CC2)C(=O)c2ccco2)C1=O
InChI=1SC20H17FN4O4Sc21133514(6413)2518(27)15(17(26)2220(25)30)12237924(10823)19(28)1621112916h161112H710H2(H222630)b1512+
MFCD28952035
ZINC000096234375
ZINC96234375
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