Vitas-M small molecule compound
3-phenylpropyl 5-({[4-(carbamimidoylsulfamoyl)phenyl]carbamothioyl}amino)-5-oxopentanoate
Catalog ID
STK948057
SMILES O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NC(=N)N)CCCC(=O)OCCCc1ccccc1
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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 C22H27N5O5S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O5S2/c23-21(24)27-34(30,31)18-13-11-17(12-14-18)25-22(33)26-19(28)9-4-10-20(29)32-15-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-14H,4-5,8-10,15H2,(H4,23,24,27)(H2,25,26,28,33)InChIKey
JWTVLYUFORGDDM-UHFFFAOYSA-NSynonyms
3phenylpropyl5(((4(carbamimidoylsulfamoyl)phenyl)carbamothioyl)amino)5oxopentanoate
3PHENYLPROPYL5((4(DIAMINOMETHYLIDENEAMINO)SULFONYLPHENYL)CARBAMOTHIOYLAMINO)5OXOPENTANOATE
C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N=C(N)N
InChI=1SC22H27N5O5S2c2321(24)2734(3031)18131117(121418)2522(33)2619(28)941020(29)321558166213716h13671114H4581015H2(H4232427)(H225262833)
MFCD07083668
ZINC000020283360
ZINC20283360
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