Vitas-M small molecule compound
2-(ethylsulfanyl)-6,6-dimethyl-9-(3-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Catalog ID
STK210430
SMILES CCSc1nn2c(n1)NC1=C(C2c2cccc(c2)[N+](=O)[O-])C(=O)CC(C1)(C)C
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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 C19H21N5O3S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3S/c1-4-28-18-21-17-20-13-9-19(2,3)10-14(25)15(13)16(23(17)22-18)11-6-5-7-12(8-11)24(26)27/h5-8,16H,4,9-10H2,1-3H3,(H,20,21,22)InChIKey
PWPMHQQGAWUSTG-UHFFFAOYSA-NSynonyms
727403-90-92(ethylsulfanyl)66dimethyl9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2(ethylthio)66dimethyl9(3nitrophenyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
2ethylsulfanyl66dimethyl9(3nitrophenyl)1579tetrahydro(124)triazolo(51b)quinazolin8one
727403909
CCSC1=NC2=NC3=C(C(N2N1)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)CC(C3)(C)C
CCSc1nn2c(n1)NC1=C(C2c2cccc(c2)(N+)(=O)(O))C(=O)CC(C1)(C)C
InChI=1SC19H21N5O3Sc14281821172013919(23)1014(25)15(13)16(23(17)2218)1165712(811)24(26)27h5816H4910H213H3(H202122)
MFCD06193268
ZINC000004777011
ZINC000004777012
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