Vitas-M small molecule compound
1-{3-[(2-chlorobenzyl)sulfanyl]-6-(2,4,6-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK521848
SMILES COc1cc(OC)cc(c1C1Oc2nc(nnc2c2c(N1C(=O)C)cccc2)SCc1ccccc1Cl)OC
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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 C28H25ClN4O5S MW 565.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25ClN4O5S/c1-16(34)33-21-12-8-6-10-19(21)25-26(30-28(32-31-25)39-15-17-9-5-7-11-20(17)29)38-27(33)24-22(36-3)13-18(35-2)14-23(24)37-4/h5-14,27H,15H2,1-4H3InChIKey
ZRLQPCBYIDSHJU-UHFFFAOYSA-NSynonyms
1(3((2chlorobenzyl)sulfanyl)6(246trimethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3((2CHLOROPHENYL)METHYLSULFANYL)6(246TRIMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3((2CHLOROBENZYL)SULFANYL)6(246TRIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4Cl)C5=C(C=C(C=C5OC)OC)OC
InChI=1SC28H25ClN4O5Sc116(34)332112861019(21)2526(3028(323125)3915179571120(17)29)3827(33)2422(363)1318(352)1423(24)374h51427H15H214H3
MFCD03838530
ZINC000000684856
ZINC000000684857
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