Vitas-M small molecule compound
6-(2-chloro-6-fluorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979888
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(F)cccc1Cl
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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 C21H20ClFN4OS MW 430.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClFN4OS/c1-2-3-6-12-29-21-25-20-18(26-27-21)13-8-4-5-11-16(13)24-19(28-20)17-14(22)9-7-10-15(17)23/h4-5,7-11,19,24H,2-3,6,12H2,1H3InChIKey
MXHUBCICLIPUFG-UHFFFAOYSA-NSynonyms
352693-65-3352693653
6(2chloro6fluorophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2CHLORO6FLUOROPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(2CHLORO6FLUOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPENTYLSULFIDE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC=C4Cl)F)N=N1
InChI=1SC21H20ClFN4OSc1236122921252018(262721)138451116(13)2419(2820)1714(22)971015(17)23h457111924H23612H21H3
MFCD01647919
ZINC000002084574
ZINC000002084575
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