Vitas-M small molecule compound
ethyl 4-{5-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]furan-2-yl}benzoate
Catalog ID
STK980034
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)C(=O)OCC)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 C29H28N4O5S MW 544.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N4O5S/c1-4-6-17-39-29-30-26-25(31-32-29)21-9-7-8-10-22(21)33(18(3)34)27(38-26)24-16-15-23(37-24)19-11-13-20(14-12-19)28(35)36-5-2/h7-16,27H,4-6,17H2,1-3H3InChIKey
LYXKFGALRTZMMD-UHFFFAOYSA-NSynonyms
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC=C(C=C5)C(=O)OCC)C(=O)C)N=N1
ethyl4(5(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)furan2yl)benzoate
ETHYL4(5(7ACETYL3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)FURAN2YL)BENZOATE
InChI=1SC29H28N4O5Sc146173929302625(313229)219781022(21)33(18(3)34)27(3826)24161523(3724)19111320(141219)28(35)3652h71627H4617H213H3
MFCD02182602
ZINC000002094627
ZINC000002094629
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