Vitas-M small molecule compound
1-[6-(2,3-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980124
SMILES CCCC(=O)N1c2ccccc2c2c(OC1c1cccc(c1Cl)Cl)nc(nn2)SC
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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 C21H18Cl2N4O2S MW 461.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Cl2N4O2S/c1-3-7-16(28)27-15-11-5-4-8-12(15)18-19(24-21(30-2)26-25-18)29-20(27)13-9-6-10-14(22)17(13)23/h4-6,8-11,20H,3,7H2,1-2H3InChIKey
DERVIPBULRTZGV-UHFFFAOYSA-NSynonyms
1(6(23dichlorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(23DICHLOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC21H18Cl2N4O2Sc13716(28)27151154812(15)1819(2421(302)262518)2920(27)13961014(22)17(13)23h4681120H37H212H3
MFCD03080519
ZINC000001160480
ZINC000001160481
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