Vitas-M small molecule compound
1-[6-(3-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509385
SMILES COc1cccc(c1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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/c1-12(25)24-16-10-5-4-9-15(16)17-18(21-20(28-3)23-22-17)27-19(24)13-7-6-8-14(11-13)26-2/h4-11,19H,1-3H3InChIKey
GRQKOVTUKCRJGE-UHFFFAOYSA-NSynonyms
1(6(3methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)OC
InChI=1SC20H18N4O3Sc112(25)24161054915(16)1718(2120(283)232217)2719(24)1376814(1113)262h41119H13H3
MFCD02376429
ZINC000002878269
ZINC000002878270
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