Vitas-M small molecule compound

N,N-diethyl-2-[(8-fluoro-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamine

Catalog ID
STL008878
SMILES CCN(CCSc1nnc2c(n1)[nH]c1c2cc(cc1)F)CC

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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 C15H18FN5S MW 319.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18FN5S/c1-3-21(4-2)7-8-22-15-18-14-13(19-20-15)11-9-10(16)5-6-12(11)17-14/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKey
NUGSNJPKJCWGKC-UHFFFAOYSA-N
Synonyms
921044-03-3
921044033
CCN(CC)CCSC1=NC2=C(C3=C(N2)C=CC(=C3)F)N=N1
CCN(CCSc1nnc2c(n1)(nH)c1c2cc(cc1)F)CC
InChI=1SC15H18FN5Sc1321(42)782215181413(192015)11910(16)5612(11)1714h569H3478H212H3(H171820)
MFCD08749059
NNdiethyl2((8fluoro5H(124)triazino(56b)indol3yl)sulfanyl)ethanamine
NNdiethyl2((8fluoro5H(124)triazino(56b)indol3yl)thio)ethanamine
ZINC000013628821
ZINC13628821

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.