Vitas-M small molecule compound
6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326280
SMILES CCCCCSc1nnc2c(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 C25H25ClN6OS MW 493.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25ClN6OS/c1-3-4-10-15-34-25-28-24-21(29-30-25)18-13-8-9-14-19(18)27-23(33-24)20-16(2)31-32(22(20)26)17-11-6-5-7-12-17/h5-9,11-14,23,27H,3-4,10,15H2,1-2H3InChIKey
GYXWDBSFZOPJHB-UHFFFAOYSA-NSynonyms
442642-00-4442642004
6(5chloro3methyl1phenyl1Hpyrazol4yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5chloro3methyl1phenylpyrazol4yl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(N(N=C4C)C5=CC=CC=C5)Cl)N=N1
InChI=1SC25H25ClN6OSc13410153425282421(293025)1813891419(18)2723(3324)2016(2)3132(22(20)26)17116571217h5911142327H341015H212H3
MFCD01919561
ZINC000002743055
ZINC000002743056
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