Vitas-M small molecule compound
(2E)-N-({3-chloro-4-[4-(furan-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-3-(5-phenylfuran-2-yl)prop-2-enamide
Catalog ID
STK294774
SMILES S=C(Nc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)c1ccco1)NC(=O)/C=C/c1ccc(o1)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 C29H25ClN4O4S MW 561.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O4S/c30-23-19-21(8-11-24(23)33-14-16-34(17-15-33)28(36)26-7-4-18-37-26)31-29(39)32-27(35)13-10-22-9-12-25(38-22)20-5-2-1-3-6-20/h1-13,18-19H,14-17H2,(H2,31,32,35,39)/b13-10+InChIKey
ZSCQRLONVDTLLR-JLHYYAGUSA-NSynonyms
(2E)N((3chloro4(4(furan2ylcarbonyl)piperazin1yl)phenyl)carbamothioyl)3(5phenylfuran2yl)prop2enamide
(E)N((3chloro4(4(furan2carbonyl)piperazin1yl)phenyl)carbamothioyl)3(5phenylfuran2yl)prop2enamide
C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4)Cl)C(=O)C5=CC=CO5
InChI=1SC29H25ClN4O4Sc30231921(81124(23)33141634(171533)28(36)2674183726)3129(39)3227(35)13102291225(3822)205213620h1131819H1417H2(H231323539)b1310+
MFCD07087047
S=C(Nc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)c1ccco1)NC(=O)C=Cc1ccc(o1)c1ccccc1
ZINC000097961821
ZINC97961821
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