Vitas-M small molecule compound
1-[6-(1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509389
SMILES CSc1nnc2c(n1)OC(c1ccc3c(c1)OCO3)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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-11(25)24-14-6-4-3-5-13(14)17-18(21-20(29-2)23-22-17)28-19(24)12-7-8-15-16(9-12)27-10-26-15/h3-9,19H,10H2,1-2H3InChIKey
XGIBSZICGAOUFH-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4)OCO5
InChI=1SC20H16N4O4Sc111(25)2414643513(14)1718(2120(292)232217)2819(24)12781516(912)27102615h3919H10H212H3
MFCD02376412
ZINC000001169091
ZINC000001169092
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