Vitas-M small molecule compound
2-(benzylsulfanyl)-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210416
SMILES O=C1CCCC2=C1C(c1cccc(c1)[N+](=O)[O-])n1c(N2)nc(n1)SCc1ccccc1
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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 C22H19N5O3S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O3S/c28-18-11-5-10-17-19(18)20(15-8-4-9-16(12-15)27(29)30)26-21(23-17)24-22(25-26)31-13-14-6-2-1-3-7-14/h1-4,6-9,12,20H,5,10-11,13H2,(H,23,24,25)InChIKey
ZSNKCMHFBHMHLQ-UHFFFAOYSA-NSynonyms
727402-27-92(benzylsulfanyl)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(benzylthio)9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2benzylsulfanyl9(3nitrophenyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
727402279
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC=CC=C4)C5=CC(=CC=C5)(N+)(=O)(O))C(=O)C1
InChI=1SC22H19N5O3Sc2818115101719(18)20(1584916(1215)27(29)30)2621(2317)2422(2526)3113146213714h14691220H5101113H2(H232425)
MFCD06193090
O=C1CCCC2=C1C(c1cccc(c1)(N+)(=O)(O))n1c(N2)nc(n1)SCc1ccccc1
ZINC000009347822
ZINC000009347823
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