Vitas-M small molecule compound
(2E)-3-(2,4-dichlorophenyl)-N-({4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)prop-2-enamide
Catalog ID
STK344915
SMILES S=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1)NC(=O)/C=C/c1ccc(cc1Cl)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 C25H22Cl2N4O3S MW 529.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22Cl2N4O3S/c26-18-5-3-17(21(27)16-18)4-10-23(32)29-25(35)28-19-6-8-20(9-7-19)30-11-13-31(14-12-30)24(33)22-2-1-15-34-22/h1-10,15-16H,11-14H2,(H2,28,29,32,35)/b10-4+InChIKey
DOINLUHDEHQHBN-ONNFQVAWSA-NSynonyms
(2E)3(24dichlorophenyl)N((4(4(furan2ylcarbonyl)piperazin1yl)phenyl)carbamothioyl)prop2enamide
(E)3(24dichlorophenyl)N((4(4(furan2carbonyl)piperazin1yl)phenyl)carbamothioyl)prop2enamide
C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=C(C=C(C=C3)Cl)Cl)C(=O)C4=CC=CO4
InChI=1SC25H22Cl2N4O3Sc26185317(21(27)1618)41023(32)2925(35)28196820(9719)30111331(141230)24(33)2221153422h1101516H1114H2(H228293235)b104+
MFCD07148595
S=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccco1)NC(=O)C=Cc1ccc(cc1Cl)Cl
ZINC000097962716
ZINC97962716
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