Vitas-M small molecule compound
methyl 4-({[4-(pyrimidin-2-yl)-1,4-diazepan-1-yl]carbonothioyl}amino)benzoate
Catalog ID
STL235683
SMILES COC(=O)c1ccc(cc1)NC(=S)N1CCCN(CC1)c1ncccn1
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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 C18H21N5O2S MW 371.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O2S/c1-25-16(24)14-4-6-15(7-5-14)21-18(26)23-11-3-10-22(12-13-23)17-19-8-2-9-20-17/h2,4-9H,3,10-13H2,1H3,(H,21,26)InChIKey
PUFJEYMLBIESFW-UHFFFAOYSA-NSynonyms
951934-77-3951934773
COC(=O)C1=CC=C(C=C1)NC(=S)N2CCCN(CC2)C3=NC=CC=N3
InChI=1SC18H21N5O2Sc12516(24)144615(7514)2118(26)231131022(121323)17198292017h249H31013H21H3(H2126)
methyl4(((4(pyrimidin2yl)14diazepan1yl)carbonothioyl)amino)benzoate
methyl4((4pyrimidin2yl14diazepane1carbothioyl)amino)benzoate
methyl4(4(pyrimidin2yl)14diazepane1carbothioamido)benzoate
MFCD09852769
ZINC000013691650
ZINC13691650
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Check stock on Vitas-MAvailable files
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