Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(pyrimidin-2-yl)-1,4-diazepane-1-carbothioamide
Catalog ID
STK626802
SMILES S=C(N1CCCN(CC1)c1ncccn1)Nc1cc(ccc1Cl)C(F)(F)F
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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 C17H17ClF3N5S MW 415.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17ClF3N5S/c18-13-4-3-12(17(19,20)21)11-14(13)24-16(27)26-8-2-7-25(9-10-26)15-22-5-1-6-23-15/h1,3-6,11H,2,7-10H2,(H,24,27)InChIKey
JJVFFFYFHGPJEB-UHFFFAOYSA-NSynonyms
951961-43-6951961436
C1CN(CCN(C1)C(=S)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC=CC=N3
InChI=1SC17H17ClF3N5Sc18134312(17(1920)21)1114(13)2416(27)2682725(91026)15225162315h13611H2710H2(H2427)
MFCD09859071
N(2chloro5(trifluoromethyl)phenyl)4(pyrimidin2yl)14diazepane1carbothioamide
N(2chloro5(trifluoromethyl)phenyl)4pyrimidin2yl14diazepane1carbothioamide
ZINC000013736547
ZINC13736547
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