Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(3,4-diethoxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980056
SMILES CCCCSc1nnc2c(n1)OC(c1ccc(c(c1)OCC)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 C26H30N4O4S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4S/c1-5-8-15-35-26-27-24-23(28-29-26)19-11-9-10-12-20(19)30(17(4)31)25(34-24)18-13-14-21(32-6-2)22(16-18)33-7-3/h9-14,16,25H,5-8,15H2,1-4H3InChIKey
SWYVSLYZNNBCGW-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(34diethoxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(34DIETHOXYPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(34DIETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OCC)OCC)C(=O)C)N=N1
InChI=1SC26H30N4O4Sc158153526272423(282926)19119101220(19)30(17(4)31)25(3424)18131421(3262)22(1618)3373h9141625H5815H214H3
MFCD02376808
ZINC000002094789
ZINC000002094791
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