Vitas-M small molecule compound
2-({[1-(2-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
STL016426
SMILES O=C(N1CCn2c(C1)cccc2=O)CSc1nnnn1c1ccccc1Cl.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/c18-13-5-1-2-6-14(13)24-17(19-20-21-24)27-11-16(26)22-8-9-23-12(10-22)4-3-7-15(23)25;1-3-2/h1-7H,8-11H2;3H2,1-2H3InChIKey
UNWUONCBRPGDFE-UHFFFAOYSA-NSynonyms
2(((1(2chlorophenyl)1Htetrazol5yl)sulfanyl)acetyl)1234tetrahydro6Hpyrido(12a)pyrazin6onepropane(11)
2(2(1(2chlorophenyl)tetrazol5yl)sulfanylacetyl)34dihydro1Hpyrido(12a)pyrazin6onepropane
CCCC1CN2C(=CC=CC2=O)CN1C(=O)CSC3=NN=NN3C4=CC=CC=C4Cl
InChI=1SC17H15ClN6O2SC3H8c1813512614(13)2417(19202124)271116(26)22892312(1022)43715(23)25132h17H811H23H212H3
O=C(N1CCn2c(C1)cccc2=O)CSc1nnnn1c1ccccc1ClCCC
ZINC000036636032
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