Vitas-M small molecule compound
ethyl 4-{[(4-benzyl-1,4-diazepan-1-yl)carbonothioyl]amino}benzoate
Catalog ID
STK234718
SMILES CCOC(=O)c1ccc(cc1)NC(=S)N1CCCN(CC1)Cc1ccccc1
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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 C22H27N3O2S MW 397.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N3O2S/c1-2-27-21(26)19-9-11-20(12-10-19)23-22(28)25-14-6-13-24(15-16-25)17-18-7-4-3-5-8-18/h3-5,7-12H,2,6,13-17H2,1H3,(H,23,28)InChIKey
YZLWVCPHNTVTKX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC=C3
ethyl4(((4benzyl14diazepan1yl)carbonothioyl)amino)benzoate
ETHYL4((4BENZYL14DIAZEPANE1CARBOTHIOYL)AMINO)BENZOATE
InChI=1SC22H27N3O2Sc122721(26)1991120(121019)2322(28)251461324(151625)17187435818h35712H261317H21H3(H2328)
MFCD07800154
ZINC000004710563
ZINC4710563
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