Vitas-M small molecule compound
1-{6-[2-(benzyloxy)phenyl]-3-[(2-chlorobenzyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK521936
SMILES CC(=O)N1c2ccccc2c2c(OC1c1ccccc1OCc1ccccc1)nc(nn2)SCc1ccccc1Cl
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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 C32H25ClN4O3S MW 581.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25ClN4O3S/c1-21(38)37-27-17-9-6-14-24(27)29-30(34-32(36-35-29)41-20-23-13-5-8-16-26(23)33)40-31(37)25-15-7-10-18-28(25)39-19-22-11-3-2-4-12-22/h2-18,31H,19-20H2,1H3InChIKey
CSYZGKLOWJXMIQ-UHFFFAOYSA-NSynonyms
1(3((2CHLOROPHENYL)METHYLSULFANYL)6(2PHENYLMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(6(2(benzyloxy)phenyl)3((2chlorobenzyl)sulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
2(7ACETYL3((2CHLOROBENZYL)SULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLBENZYLETHER
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4Cl)C5=CC=CC=C5OCC6=CC=CC=C6
InChI=1SC32H25ClN4O3Sc121(38)372717961424(27)2930(3432(363529)41202313581626(23)33)4031(37)25157101828(25)391922113241222h21831H1920H21H3
MFCD03784988
ZINC000002114381
ZINC000002114383
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