Vitas-M small molecule compound
(5E)-1-(3,5-dichlorophenyl)-5-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368101
SMILES Clc1cc(Cl)cc(c1)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 C20H16Cl2N4O4S MW 479.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N4O4S/c21-12-8-13(22)10-14(9-12)26-18(28)15(17(27)23-20(26)31)11-24-3-5-25(6-4-24)19(29)16-2-1-7-30-16/h1-2,7-11H,3-6H2,(H,23,27,31)/b15-11+InChIKey
IEGKNCOQSQPUDA-RVDMUPIBSA-NSynonyms
(5E)1(35dichlorophenyl)5((4(furan2carbonyl)piperazin1yl)methylidene)2sulfanylidene13diazinane46dione
(5E)1(35dichlorophenyl)5((4(furan2ylcarbonyl)piperazin1yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C(=O)C4=CC=CO4
Clc1cc(Cl)cc(c1)N1C(=S)NC(=O)C(=CN2CCN(CC2)C(=O)c2ccco2)C1=O
InChI=1SC20H16Cl2N4O4Sc2112813(22)1014(912)2618(28)15(17(27)2320(26)31)11243525(6424)19(29)162173016h12711H36H2(H232731)b1511+
MFCD28952034
ZINC000096234374
ZINC96234374
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