Vitas-M small molecule compound

5-[(2-chloro-6-fluorobenzyl)sulfanyl][1,2,4]triazolo[1,5-c]pyrimidin-7-amine

Catalog ID
STL447378
SMILES Nc1nc(SCc2c(F)cccc2Cl)n2c(c1)ncn2

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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 C12H9ClFN5S MW 309.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H9ClFN5S/c13-8-2-1-3-9(14)7(8)5-20-12-18-10(15)4-11-16-6-17-19(11)12/h1-4,6H,5,15H2
InChIKey
XFVBXDRWDRWKDW-UHFFFAOYSA-N
Synonyms

5((2chloro6fluorobenzyl)sulfanyl)(124)triazolo(15c)pyrimidin7amine
5((2CHLORO6FLUOROBENZYL)THIO)(124)TRIAZOLO(15C)PYRIMIDIN7AMINE
5((2CHLORO6FLUOROPHENYL)METHYLSULFANYL)(124)TRIAZOLO(15C)PYRIMIDIN7AMINE
C1=CC(=C(C(=C1)Cl)CSC2=NC(=CC3=NC=NN32)N)F
InChI=1SC12H9ClFN5Sc1382139(14)7(8)520121810(15)4111661719(11)12h146H515H2
MFCD06243530
ZINC000001407206
ZINC01407206
ZINC1407206

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Available files

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