Vitas-M small molecule compound
(2E)-N-{[4-(4-benzylpiperazin-1-yl)phenyl]carbamothioyl}-3-phenylprop-2-enamide
Catalog ID
STK251984
SMILES O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)Cc1ccccc1)/C=C/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 C27H28N4OS MW 456.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4OS/c32-26(16-11-22-7-3-1-4-8-22)29-27(33)28-24-12-14-25(15-13-24)31-19-17-30(18-20-31)21-23-9-5-2-6-10-23/h1-16H,17-21H2,(H2,28,29,32,33)/b16-11+InChIKey
KFXZZOARGZJURO-LFIBNONCSA-NSynonyms
(2E)N((4(4BENZYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((4(4BENZYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4
InChI=1SC27H28N4OSc3226(1611227314822)2927(33)2824121425(151324)31191730(182031)212395261023h116H1721H2(H228293233)b1611+
MFCD04080852
O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)Cc1ccccc1)C=Cc1ccccc1
ZINC000057251244
ZINC57251244
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