Vitas-M small molecule compound
(5E)-5-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL367418
SMILES O=C(c1ccco1)N1CCN(CC1)/C=C/1\C(=O)NC(=S)N(C1=O)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 C20H18N4O4S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4S/c25-17-15(18(26)24(20(29)21-17)14-5-2-1-3-6-14)13-22-8-10-23(11-9-22)19(27)16-7-4-12-28-16/h1-7,12-13H,8-11H2,(H,21,25,29)/b15-13+InChIKey
MQSHSDADITVFIS-FYWRMAATSA-NSynonyms
(5E)5((4(furan2carbonyl)piperazin1yl)methylidene)1phenyl2sulfanylidene13diazinane46dione
(5E)5((4(furan2ylcarbonyl)piperazin1yl)methylidene)1phenyl2thioxodihydropyrimidine46(1H5H)dione
C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)C(=O)C4=CC=CO4
InChI=1SC20H18N4O4Sc251715(18(26)24(20(29)2117)145213614)132281023(11922)19(27)1674122816h171213H811H2(H212529)b1513+
MFCD28951797
O=C(c1ccco1)N1CCN(CC1)C=C1C(=O)NC(=S)N(C1=O)c1ccccc1
ZINC000105964468
ZINC105964468
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