Vitas-M small molecule compound

1-[6-(3-chlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521161
SMILES CSc1nnc2c(n1)OC(c1cccc(c1)Cl)N(c1c2cccc1)C(=O)CC

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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 C20H17ClN4O2S MW 412.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O2S/c1-3-16(26)25-15-10-5-4-9-14(15)17-18(22-20(28-2)24-23-17)27-19(25)12-7-6-8-13(21)11-12/h4-11,19H,3H2,1-2H3
InChIKey
PGNXPSCQXNRXQI-UHFFFAOYSA-N
Synonyms

1(6(3chlorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3CHLOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3CHLOROPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)Cl
InChI=1SC20H17ClN4O2Sc1316(26)25151054914(15)1718(2220(282)242317)2719(25)1276813(21)1112h41119H3H212H3
MFCD02951948
ZINC000000684279
ZINC000000684280

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Available files

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