Vitas-M small molecule compound

1-[3-(hexylsulfanyl)-6-(2,4,5-trimethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509250
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)c(cc1OC)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 C27H32N4O5S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N4O5S/c1-6-7-8-11-14-37-27-28-25-24(29-30-27)18-12-9-10-13-20(18)31(17(2)32)26(36-25)19-15-22(34-4)23(35-5)16-21(19)33-3/h9-10,12-13,15-16,26H,6-8,11,14H2,1-5H3
InChIKey
PKTZYXNQBGBVGK-UHFFFAOYSA-N
Synonyms

1(3(hexylsulfanyl)6(245trimethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3HEXYLSULFANYL6(245TRIMETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(HEXYLSULFANYL)6(245TRIMETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4OC)OC)OC)C(=O)C)N=N1
InChI=1SC27H32N4O5Sc167811143727282524(293027)18129101320(18)31(17(2)32)26(3625)191522(344)23(355)1621(19)333h9101213151626H681114H215H3
MFCD03271284
ZINC000002104719
ZINC000002104722

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Available files

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