Vitas-M small molecule compound

4-(2-{[(2,6-dioxo-4-phenylcyclohexylidene)methyl]amino}ethyl)-N-(prop-2-en-1-yl)piperazine-1-carbothioamide

Catalog ID
STK015643
SMILES C=CCNC(=S)N1CCN(CC1)CCN/C=C/1\C(=O)CC(CC1=O)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 C23H30N4O2S MW 426.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30N4O2S/c1-2-8-25-23(30)27-13-11-26(12-14-27)10-9-24-17-20-21(28)15-19(16-22(20)29)18-6-4-3-5-7-18/h2-7,17,19,24H,1,8-16H2,(H,25,30)/b20-17-
InChIKey
JPHYBVDVIBBMRA-JZJYNLBNSA-N
Synonyms

4(2(((26dioxo4phenylcyclohexylidene)methyl)amino)ethyl)N(prop2en1yl)piperazine1carbothioamide
C=CCNC(=S)N1CCN(CC1)CCNC=C1C(=O)CC(CC1=O)c1ccccc1
MFCD01957917
Nallyl4(2(((26dioxo4phenylcyclohexylidene)methyl)amino)ethyl)piperazine1carbothioamide
STK015643
ZINC000100641911

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Available files

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