Vitas-M small molecule compound
2-({[1-(2,5-dimethylphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydro-6H-pyrido[1,2-a]pyrazin-6-one - propane (1:1)
Catalog ID
STL016430
SMILES Cc1ccc(c(c1)n1nnnc1SCC(=O)N1CCn2c(C1)cccc2=O)C.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 C22H28N6O2S MW 440.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6O2S.C3H8/c1-13-6-7-14(2)16(10-13)25-19(20-21-22-25)28-12-18(27)23-8-9-24-15(11-23)4-3-5-17(24)26;1-3-2/h3-7,10H,8-9,11-12H2,1-2H3;3H2,1-2H3InChIKey
UJRBWTACIOKGRE-UHFFFAOYSA-NSynonyms
2(((1(25dimethylphenyl)1Htetrazol5yl)sulfanyl)acetyl)1234tetrahydro6Hpyrido(12a)pyrazin6onepropane(11)
2(2(1(25dimethylphenyl)tetrazol5yl)sulfanylacetyl)34dihydro1Hpyrido(12a)pyrazin6onepropane
Cc1ccc(c(c1)n1nnnc1SCC(=O)N1CCn2c(C1)cccc2=O)CCCC
CCCCC1=CC(=C(C=C1)C)N2C(=NN=N2)SCC(=O)N3CCN4C(=CC=CC4=O)C3
InChI=1SC19H20N6O2SC3H8c1136714(2)16(1013)2519(20212225)281218(27)23892415(1123)43517(24)26132h3710H891112H212H33H212H3
ZINC000036636036
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