Vitas-M small molecule compound
[3-(methylsulfanyl)-6-(naphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone
Catalog ID
STK521075
SMILES CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)c1ccccc1)c1cccc2c1cccc2
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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 C28H20N4O2S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H20N4O2S/c1-35-28-29-25-24(30-31-28)22-15-7-8-17-23(22)32(26(33)19-11-3-2-4-12-19)27(34-25)21-16-9-13-18-10-5-6-14-20(18)21/h2-17,27H,1H3InChIKey
MKVXPNWBPNRKIJ-UHFFFAOYSA-NSynonyms
(3(methylsulfanyl)6(naphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(3METHYLSULFANYL6NAPHTHALEN1YL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL3(METHYLSULFANYL)6(1NAPHTHYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC5=CC=CC=C54)C(=O)C6=CC=CC=C6)N=N1
InChI=1SC28H20N4O2Sc13528292524(303128)2215781723(22)32(26(33)19113241219)27(3425)21169131810561420(18)21h21727H1H3
MFCD02952139
ZINC000002113890
ZINC000002113892
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