Vitas-M small molecule compound

6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL482809
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(C)nn(c1Cl)c1ccccc1

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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 C21H17ClN6OS MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN6OS/c1-12-16(18(22)28(27-12)13-8-4-3-5-9-13)19-23-15-11-7-6-10-14(15)17-20(29-19)24-21(30-2)26-25-17/h3-11,19,23H,1-2H3
InChIKey
VOWMBOOOLDJRLT-UHFFFAOYSA-N
Synonyms

6(5chloro3methyl1phenyl1Hpyrazol4yl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)3(METHYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(5CHLORO3METHYL1PHENYLPYRAZOL4YL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=NN(C(=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Cl)C5=CC=CC=C5
InChI=1SC21H17ClN6OSc11216(18(22)28(2712)138435913)19231511761014(15)1720(2919)2421(302)262517h3111923H12H3
MFCD00615587
ZINC000001203484
ZINC000001203486

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Available files

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