Vitas-M small molecule compound

4-[4-(5-chloro-2-methoxybenzyl)piperazin-1-yl]-N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide

Catalog ID
STL052418
SMILES COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1)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 C24H32ClN5O3S MW 506.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H32ClN5O3S/c1-33-20-8-7-19(25)15-18(20)16-29-11-13-30(14-12-29)22(32)10-9-21(31)26-24-28-27-23(34-24)17-5-3-2-4-6-17/h7-8,15,17H,2-6,9-14,16H2,1H3,(H,26,28,31)
InChIKey
HLVXTHRUXDKBKT-UHFFFAOYSA-N
Synonyms
713094-91-8
713094918
COc1ccc(cc1CN1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)C1CCCCC1)Cl
MFCD05725855
ZINC000009287156

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.