Vitas-M small molecule compound
methyl 4-[7-acetyl-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoate
Catalog ID
STK509249
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc(cc1)C(=O)OC)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 C26H28N4O4S MW 492.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O4S/c1-4-5-6-9-16-35-26-27-23-22(28-29-26)20-10-7-8-11-21(20)30(17(2)31)24(34-23)18-12-14-19(15-13-18)25(32)33-3/h7-8,10-15,24H,4-6,9,16H2,1-3H3InChIKey
WXNYEIZLHLMBOQ-UHFFFAOYSA-NSynonyms
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)C(=O)OC)C(=O)C)N=N1
InChI=1SC26H28N4O4Sc14569163526272322(282926)2010781121(20)30(17(2)31)24(3423)18121419(151318)25(32)333h78101524H46916H213H3
methyl4(7acetyl3(hexylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)benzoate
METHYL4(7ACETYL3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)BENZOATE
MFCD03080326
ZINC000002104370
ZINC000002104371
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