Vitas-M small molecule compound
3-(benzylsulfanyl)-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445135
SMILES Cc1nn(c(c1C1Oc2nc(SCc3ccccc3)nnc2c2c(N1)cccc2)Cl)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 C27H21ClN6OS MW 513.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN6OS/c1-17-22(24(28)34(33-17)19-12-6-3-7-13-19)25-29-21-15-9-8-14-20(21)23-26(35-25)30-27(32-31-23)36-16-18-10-4-2-5-11-18/h2-15,25,29H,16H2,1H3InChIKey
KUCNQAWXKKEWKJ-UHFFFAOYSA-NSynonyms
3(benzylsulfanyl)6(5chloro3methyl1phenyl1Hpyrazol4yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3(BENZYLTHIO)6(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)67DIHYDROBENZO(D)(124)TRIAZINO(65F)(13)OXAZEPINE
3BENZYLSULFANYL6(5CHLORO3METHYL1PHENYLPYRAZOL4YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC1=NN(C(=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5)Cl)C6=CC=CC=C6
InChI=1SC27H21ClN6OSc11722(24(28)34(3317)19126371319)25292115981420(21)2326(3525)3027(323123)361618104251118h2152529H16H21H3
MFCD01929774
ZINC000002073731
ZINC000002073732
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