Vitas-M small molecule compound
1-[3-(benzylsulfanyl)-6-(7-methoxy-1,3-benzodioxol-5-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK522090
SMILES COc1cc(cc2c1OCO2)C1Oc2nc(SCc3ccccc3)nnc2c2c(N1C(=O)C)cccc2
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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 C27H22N4O5S MW 514.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O5S/c1-16(32)31-20-11-7-6-10-19(20)23-25(28-27(30-29-23)37-14-17-8-4-3-5-9-17)36-26(31)18-12-21(33-2)24-22(13-18)34-15-35-24/h3-13,26H,14-15H2,1-2H3InChIKey
JGLZHLSUJMLOCN-UHFFFAOYSA-NSynonyms
1(3(benzylsulfanyl)6(7methoxy13benzodioxol5yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BENZYLSULFANYL6(7METHOXY13BENZODIOXOL5YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4)C5=CC6=C(C(=C5)OC)OCO6
InChI=1SC27H22N4O5Sc116(32)312011761019(20)2325(2827(302923)3714178435917)3626(31)181221(332)2422(1318)34153524h31326H1415H212H3
MFCD04215874
ZINC000012379465
ZINC000012379466
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