Vitas-M small molecule compound
1-[6-(2,4-dichlorophenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509724
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccc(cc1Cl)Cl
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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 C24H24Cl2N4O2S MW 503.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24Cl2N4O2S/c1-3-4-5-8-13-33-24-27-22-21(28-29-24)18-9-6-7-10-20(18)30(15(2)31)23(32-22)17-12-11-16(25)14-19(17)26/h6-7,9-12,14,23H,3-5,8,13H2,1-2H3InChIKey
ZSOMXSPAHNPBQL-UHFFFAOYSA-NSynonyms
1(6(24dichlorophenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(24DICHLOROPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(24DICHLOROPHENYL)3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=C(C=C4)Cl)Cl)C(=O)C)N=N1
InChI=1SC24H24Cl2N4O2Sc13458133324272221(282924)189671020(18)30(15(2)31)23(3222)17121116(25)1419(17)26h679121423H35813H212H3
MFCD03080330
ZINC000002104379
ZINC000002104381
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