Vitas-M small molecule compound
2-(ethylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210405
SMILES CCSc1nn2c(n1)NC1=C(C2c2cccc(c2)[N+](=O)[O-])C(=O)CCC1
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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 C17H17N5O3S MW 371.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O3S/c1-2-26-17-19-16-18-12-7-4-8-13(23)14(12)15(21(16)20-17)10-5-3-6-11(9-10)22(24)25/h3,5-6,9,15H,2,4,7-8H2,1H3,(H,18,19,20)InChIKey
MJLMDQNKLHCSKQ-UHFFFAOYSA-NSynonyms
727401-87-82(ethylsulfanyl)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(ethylthio)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2ethylsulfanyl9(3nitrophenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727401878
CCSC1=NC2=NC3=C(C(N2N1)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)CCC3
CCSc1nn2c(n1)NC1=C(C2c2cccc(c2)(N+)(=O)(O))C(=O)CCC1
InChI=1SC17H17N5O3Sc1226171916181274813(23)14(12)15(21(16)2017)1053611(910)22(24)25h356915H2478H21H3(H181920)
MFCD06193047
ZINC000004776999
ZINC000004777000
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