Vitas-M small molecule compound
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl acetate
Catalog ID
STK509462
SMILES CSc1nnc2c(n1)OC(c1ccccc1OC(=O)C)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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-12(26)25-16-10-6-4-8-14(16)18-19(22-21(30-3)24-23-18)29-20(25)15-9-5-7-11-17(15)28-13(2)27/h4-11,20H,1-3H3InChIKey
FHTSUMLSLCUMEC-UHFFFAOYSA-NSynonyms
(2(7ACETYL3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYL)ACETATE
2(7acetyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4OC(=O)C
InChI=1SC21H18N4O4Sc112(26)25161064814(16)1819(2221(303)242318)2920(25)159571117(15)2813(2)27h41120H13H3
MFCD02378000
ZINC000001160171
ZINC000001160172
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