Vitas-M small molecule compound
1-(3-chloro-4-fluorophenyl)-3-(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)thiourea
Catalog ID
STK075872
SMILES S=C(NC12CN3CN(C2)CN(C1)C3)Nc1ccc(c(c1)Cl)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 C14H17ClFN5S MW 341.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17ClFN5S/c15-11-3-10(1-2-12(11)16)17-13(22)18-14-4-19-7-20(5-14)9-21(6-14)8-19/h1-3H,4-9H2,(H2,17,18,22)InChIKey
JBEOADQNIMKHRZ-UHFFFAOYSA-NSynonyms
1(3chloro4fluorophenyl)3(135triazatricyclo(3311~37~)dec7yl)thiourea
C1C2(CN3CN1CN(C2)C3)NC(=S)NC4=CC(=C(C=C4)F)Cl
InChI=1SC14H17ClFN5Sc1511310(1212(11)16)1713(22)1814419720(514)921(614)819h13H49H2(H2171822)
MFCD02856874
S=C(NC12CN3CN(C2)CN(C1)C3)Nc1ccc(c(c1)Cl)F
STK075872
ZINC000019325188
ZINC19325188
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