Vitas-M small molecule compound
2-chloro-6-methoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STL169839
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Cl)c(c(c1)OC)O
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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 C18H15ClN4O3S MW 402.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15ClN4O3S/c1-25-13-8-9(7-11(19)15(13)24)16-20-12-6-4-3-5-10(12)14-17(26-16)21-18(27-2)23-22-14/h3-8,16,20,24H,1-2H3InChIKey
WRTZYORNBBWFMQ-UHFFFAOYSA-NSynonyms
2chloro6methoxy4(3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2CHLORO6METHOXY4(3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
COC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Cl)O
InChI=1SC18H15ClN4O3Sc1251389(711(19)15(13)24)162012643510(12)1417(2616)2118(272)232214h38162024H12H3
MFCD01648233
ZINC000000694465
ZINC000000694466
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