Vitas-M small molecule compound

(2E)-N-{[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl}-3-phenylprop-2-enamide

Catalog ID
STK498799
SMILES S=C(Nc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)C)NC(=O)/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 C22H23ClN4O2S MW 442.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O2S/c1-16(28)26-11-13-27(14-12-26)20-9-8-18(15-19(20)23)24-22(30)25-21(29)10-7-17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3,(H2,24,25,29,30)/b10-7+
InChIKey
XKGKSUJOLCVUMO-JXMROGBWSA-N
Synonyms

(2E)N((4(4acetylpiperazin1yl)3chlorophenyl)carbamothioyl)3phenylprop2enamide
(E)N((4(4acetylpiperazin1yl)3chlorophenyl)carbamothioyl)3phenylprop2enamide
CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3)Cl
InChI=1SC22H23ClN4O2Sc116(28)26111327(141226)209818(1519(20)23)2422(30)2521(29)107175324617h21015H1114H21H3(H224252930)b107+
MFCD08120223
S=C(Nc1ccc(c(c1)Cl)N1CCN(CC1)C(=O)C)NC(=O)C=Cc1ccccc1
ZINC000008831690
ZINC08831690
ZINC8831690

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Available files

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