Vitas-M small molecule compound

N-(3-fluorophenyl)-4-(pyrimidin-2-yl)-1,4-diazepane-1-carbothioamide

Catalog ID
STL233713
SMILES Fc1cccc(c1)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 C16H18FN5S MW 331.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18FN5S/c17-13-4-1-5-14(12-13)20-16(23)22-9-3-8-21(10-11-22)15-18-6-2-7-19-15/h1-2,4-7,12H,3,8-11H2,(H,20,23)
InChIKey
UHUFQAAMNBTOCK-UHFFFAOYSA-N
Synonyms
951992-77-1
951992771
C1CN(CCN(C1)C(=S)NC2=CC(=CC=C2)F)C3=NC=CC=N3
InChI=1SC16H18FN5Sc171341514(1213)2016(23)2293821(101122)15186271915h124712H3811H2(H2023)
MFCD09850241
N(3fluorophenyl)4(pyrimidin2yl)14diazepane1carbothioamide
N(3fluorophenyl)4pyrimidin2yl14diazepane1carbothioamide
ZINC000013685855
ZINC13685855

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Available files

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