Vitas-M small molecule compound
9-(2-chloro-5-nitrophenyl)-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK232081
SMILES CSc1nc2n(n1)C(C1=C(N2)CCCC1=O)c1cc(ccc1Cl)[N+](=O)[O-]
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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 C16H14ClN5O3S MW 391.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14ClN5O3S/c1-26-16-19-15-18-11-3-2-4-12(23)13(11)14(21(15)20-16)9-7-8(22(24)25)5-6-10(9)17/h5-7,14H,2-4H2,1H3,(H,18,19,20)InChIKey
NCFXTEDIBFWLLS-UHFFFAOYSA-NSynonyms
727395-37-1727395371
9(2chloro5nitrophenyl)2(methylsulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(2chloro5nitrophenyl)2(methylthio)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(2chloro5nitrophenyl)2methylsulfanyl5679tetrahydro1H(124)triazolo(51b)quinazolin8one
CSC1=NC2=NC3=C(C(N2N1)C4=C(C=CC(=C4)(N+)(=O)(O))Cl)C(=O)CCC3
CSc1nc2n(n1)C(C1=C(N2)CCCC1=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC16H14ClN5O3Sc126161915181132412(23)13(11)14(21(15)2016)978(22(24)25)5610(9)17h5714H24H21H3(H181920)
MFCD06193015
ZINC000004736972
ZINC000004736973
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