Vitas-M small molecule compound
3-(benzylsulfanyl)-6-(pyridin-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326600
SMILES c1ccc(cc1)CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccncc1
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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 C22H17N5OS MW 399.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N5OS/c1-2-6-15(7-3-1)14-29-22-25-21-19(26-27-22)17-8-4-5-9-18(17)24-20(28-21)16-10-12-23-13-11-16/h1-13,20,24H,14H2InChIKey
NNISDZVCHHWZOC-UHFFFAOYSA-NSynonyms
3(benzylsulfanyl)6(pyridin4yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3BENZYLSULFANYL6PYRIDIN4YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=NC=C5)N=N2
InChI=1SC22H17N5OSc12615(731)142922252119(262722)17845918(17)2420(2821)16101223131116h1132024H14H2
MFCD01929772
ZINC000000713096
ZINC000000713100
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