Vitas-M small molecule compound
2-({[1-(3-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydro-6H-pyrido[1,2-a]pyrazin-6-one - propane (1:1)
Catalog ID
STL016427
SMILES Clc1cccc(c1)n1nnnc1SCC(=O)N1CCn2c(C1)cccc2=O.CCC
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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 C20H23ClN6O2S MW 446.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClN6O2S.C3H8/c18-12-3-1-4-13(9-12)24-17(19-20-21-24)27-11-16(26)22-7-8-23-14(10-22)5-2-6-15(23)25;1-3-2/h1-6,9H,7-8,10-11H2;3H2,1-2H3InChIKey
NWJYXUFDAWISPP-UHFFFAOYSA-NSynonyms
2(((1(3chlorophenyl)1Htetrazol5yl)sulfanyl)acetyl)1234tetrahydro6Hpyrido(12a)pyrazin6onepropane(11)
2(2(1(3chlorophenyl)tetrazol5yl)sulfanylacetyl)34dihydro1Hpyrido(12a)pyrazin6onepropane
CCCC1CN2C(=CC=CC2=O)CN1C(=O)CSC3=NN=NN3C4=CC(=CC=C4)Cl
Clc1cccc(c1)n1nnnc1SCC(=O)N1CCn2c(C1)cccc2=OCCC
InChI=1SC17H15ClN6O2SC3H8c181231413(912)2417(19202124)271116(26)22782314(1022)52615(23)25132h169H781011H23H212H3
ZINC000036636033
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