Vitas-M small molecule compound
2-({[1-(3-methoxyphenyl)-1H-tetrazol-5-yl]sulfanyl}acetyl)-1,2,3,4-tetrahydro-6H-pyrido[1,2-a]pyrazin-6-one - propane (1:1)
Catalog ID
STL016431
SMILES COc1cccc(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 C21H26N6O3S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N6O3S.C3H8/c1-27-15-6-2-4-13(10-15)24-18(19-20-21-24)28-12-17(26)22-8-9-23-14(11-22)5-3-7-16(23)25;1-3-2/h2-7,10H,8-9,11-12H2,1H3;3H2,1-2H3InChIKey
YPKOGTSYMUYKOK-UHFFFAOYSA-NSynonyms
2(((1(3methoxyphenyl)1Htetrazol5yl)sulfanyl)acetyl)1234tetrahydro6Hpyrido(12a)pyrazin6onepropane(11)
2(2(1(3methoxyphenyl)tetrazol5yl)sulfanylacetyl)34dihydro1Hpyrido(12a)pyrazin6onepropane
CCCCOC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)N3CCN4C(=CC=CC4=O)C3
COc1cccc(c1)n1nnnc1SCC(=O)N1CCn2c(C1)cccc2=OCCC
InChI=1SC18H18N6O3SC3H8c1271562413(1015)2418(19202124)281217(26)22892314(1122)53716(23)25132h2710H891112H21H33H212H3
ZINC000036636037
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