Vitas-M small molecule compound
2-chloro-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenol
Catalog ID
STL169911
SMILES CCSc1nnc2c(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 C19H17ClN4O3S MW 416.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17ClN4O3S/c1-3-28-19-22-18-15(23-24-19)11-6-4-5-7-13(11)21-17(27-18)10-8-12(20)16(25)14(9-10)26-2/h4-9,17,21,25H,3H2,1-2H3InChIKey
AFVUGIBTMUOLFR-UHFFFAOYSA-NSynonyms
2chloro4(3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6methoxyphenol
2CHLORO4(3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6METHOXYPHENOL
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Cl)O)OC)N=N1
InChI=1SC19H17ClN4O3Sc132819221815(232419)11645713(11)2117(2718)10812(20)16(25)14(910)262h49172125H3H212H3
MFCD01835245
ZINC000002747190
ZINC000002747191
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