Vitas-M small molecule compound
(5E)-1-(2,3-dichlorophenyl)-5-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL368111
SMILES O=C(c1ccco1)N1CCN(CC1)/C=C/1\C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
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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/c21-13-3-1-4-14(16(13)22)26-18(28)12(17(27)23-20(26)31)11-24-6-8-25(9-7-24)19(29)15-5-2-10-30-15/h1-5,10-11H,6-9H2,(H,23,27,31)/b12-11+InChIKey
CDJFXQQVGOIRJT-VAWYXSNFSA-NSynonyms
(5E)1(23DICHLOROPHENYL)5((4(FURAN2CARBONYL)PIPERAZIN1YL)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
(5E)1(23dichlorophenyl)5((4(furan2ylcarbonyl)piperazin1yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
1(23DICHLOROPHENYL)5((4(2FUROYL)1PIPERAZINYL)METHYLENE)2THIOXODIHYDRO46(1H5H)PYRIMIDINEDIONE
C1CN(CCN1C=C2C(=O)NC(=S)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)C(=O)C4=CC=CO4
InChI=1SC20H16Cl2N4O4Sc211331414(16(13)22)2618(28)12(17(27)2320(26)31)11246825(9724)19(29)1552103015h151011H69H2(H232731)b1211+
MFCD03785362
O=C(c1ccco1)N1CCN(CC1)C=C1C(=O)NC(=S)N(C1=O)c1cccc(c1Cl)Cl
ZINC000002178836
ZINC02178836
ZINC2178836
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