Vitas-M small molecule compound

[6-ethyl-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone

Catalog ID
STK521691
SMILES CSc1nnc2c(n1)OC(CC)N(c1c2cccc1)C(=O)c1ccccc1

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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-3-16-24(19(25)13-9-5-4-6-10-13)15-12-8-7-11-14(15)17-18(26-16)21-20(27-2)23-22-17/h4-12,16H,3H2,1-2H3
InChIKey
YZFUHTPFQMYVRS-UHFFFAOYSA-N
Synonyms

(6ethyl3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6ETHYL3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
CCC1N(C2=CC=CC=C2C3=C(O1)N=C(N=N3)SC)C(=O)C4=CC=CC=C4
InChI=1SC20H18N4O2Sc131624(19(25)1395461013)1512871114(15)1718(2616)2120(272)232217h41216H3H212H3
MFCD03080503
ZINC000001120505
ZINC000001120507

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.