Vitas-M small molecule compound
1-[6-(2-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509136
SMILES CSc1nnc2c(n1)OC(c1ccccc1C)N(c1c2cccc1)C(=O)C
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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/c1-12-8-4-5-9-14(12)19-24(13(2)25)16-11-7-6-10-15(16)17-18(26-19)21-20(27-3)23-22-17/h4-11,19H,1-3H3InChIKey
FDRARPWVWWXZEW-UHFFFAOYSA-NSynonyms
6376-33-61(6(2methylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2METHYLPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
6376336
7ACETYL6(2METHYLPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC1=CC=CC=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC20H18N4O2Sc112845914(12)1924(13(2)25)1611761015(16)1718(2619)2120(273)232217h41119H13H3
MFCD01929849
ZINC000000683346
ZINC000000683347
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