Vitas-M small molecule compound

9-(3,5-difluorophenyl)-2-[(3-nitrobenzyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Catalog ID
STK232159
SMILES Fc1cc(cc(c1)F)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1cccc(c1)[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 C22H17F2N5O3S MW 469.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F2N5O3S/c23-14-8-13(9-15(24)10-14)20-19-17(5-2-6-18(19)30)25-21-26-22(27-28(20)21)33-11-12-3-1-4-16(7-12)29(31)32/h1,3-4,7-10,20H,2,5-6,11H2,(H,25,26,27)
InChIKey
XGMOCZAUOYLZNV-UHFFFAOYSA-N
Synonyms
777871-15-5
777871155
9(35difluorophenyl)2((3nitrobenzyl)sulfanyl)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)2((3nitrobenzyl)thio)5679tetrahydro(124)triazolo(51b)quinazolin8(4H)one
9(35difluorophenyl)2((3nitrophenyl)methylsulfanyl)5679tetrahydro1H(124)triazolo(51b)quinazolin8one
C1CC2=C(C(N3C(=N2)N=C(N3)SCC4=CC(=CC=C4)(N+)(=O)(O))C5=CC(=CC(=C5)F)F)C(=O)C1
Fc1cc(cc(c1)F)C1C2=C(CCCC2=O)Nc2n1nc(n2)SCc1cccc(c1)(N+)(=O)(O)
InChI=1SC22H17F2N5O3Sc2314813(915(24)1014)201917(52618(19)30)25212622(2728(20)21)33111231416(712)29(31)32h13471020H25611H2(H252627)
MFCD06602947
ZINC000009123762
ZINC000009123763

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Available files

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