Vitas-M small molecule compound
[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](4-methoxyphenyl)methanone
Catalog ID
STK326276
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)C(=O)c1ccc(cc1)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 C20H18N4O3S MW 394.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O3S/c1-3-28-20-22-18-16(23-24-20)14-6-4-5-7-15(14)21-19(27-18)17(25)12-8-10-13(26-2)11-9-12/h4-11,19,21H,3H2,1-2H3InChIKey
DYTAOBLFYFSLJB-UHFFFAOYSA-NSynonyms
353766-11-7(3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)(4methoxyphenyl)methanone
(3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)(4METHOXYPHENYL)METHANONE
353766117
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=O)C4=CC=C(C=C4)OC)N=N1
InChI=1SC20H18N4O3Sc132820221816(232420)14645715(14)2119(2718)17(25)1281013(262)11912h4111921H3H212H3
MFCD02053741
ZINC000001168859
ZINC000001168860
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