Vitas-M small molecule compound
7-(5-chloro-2-methylphenyl)-2-(methylsulfanyl)pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
Catalog ID
STL090339
SMILES CSc1nn2c(n1)ncc1c2ccn(c1=O)c1cc(Cl)ccc1C
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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 C16H12ClN5OS MW 357.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN5OS/c1-9-3-4-10(17)7-13(9)21-6-5-12-11(14(21)23)8-18-15-19-16(24-2)20-22(12)15/h3-8H,1-2H3InChIKey
AJQVBNBVAGPQEC-UHFFFAOYSA-NSynonyms
7(5chloro2methylphenyl)2(methylsulfanyl)pyrido(34e)(124)triazolo(15a)pyrimidin6(7H)one
CC1=C(C=C(C=C1)Cl)N2C=CC3=C(C2=O)C=NC4=NC(=NN34)SC
InChI=1SC16H12ClN5OSc193410(17)713(9)21651211(14(21)23)818151916(242)2022(12)15h38H12H3
MFCD13872335
ZINC000030875400
ZINC30875400
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