Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK522111
SMILES Clc1ccc(cc1)CSc1nnc2c(n1)OC=Nc1c2cccc1
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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 C17H11ClN4OS MW 354.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H11ClN4OS/c18-12-7-5-11(6-8-12)9-24-17-20-16-15(21-22-17)13-3-1-2-4-14(13)19-10-23-16/h1-8,10H,9H2InChIKey
DGPQNGBOJYQZBJ-UHFFFAOYSA-NSynonyms
3((4chlorobenzyl)sulfanyl)(124)triazino(56d)(31)benzoxazepine
3((4CHLOROPHENYL)METHYLSULFANYL)(124)TRIAZINO(56D)(31)BENZOXAZEPINE
C1=CC=C2C(=C1)C3=C(N=C(N=N3)SCC4=CC=C(C=C4)Cl)OC=N2
InChI=1SC17H11ClN4OSc18127511(6812)92417201615(212217)13312414(13)19102316h1810H9H2
MFCD13370962
ZINC000003656387
ZINC03656387
ZINC3656387
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