Vitas-M small molecule compound
4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
Catalog ID
STL171184
SMILES CCCCSc1nnc2c(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 C21H21ClN4O3S MW 444.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4O3S/c1-3-4-9-30-21-24-20-17(25-26-21)13-7-5-6-8-15(13)23-19(29-20)12-10-14(22)18(27)16(11-12)28-2/h5-8,10-11,19,23,27H,3-4,9H2,1-2H3InChIKey
QFNYEOQLUGYYSF-UHFFFAOYSA-NSynonyms
4(3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2chloro6methoxyphenol
4(3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2CHLORO6METHOXYPHENOL
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Cl)O)OC)N=N1
InChI=1SC21H21ClN4O3Sc13493021242017(252621)13756815(13)2319(2920)121014(22)18(27)16(1112)282h581011192327H349H212H3
MFCD01835057
ZINC000002085476
ZINC000002085477
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