Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl]-6-(3-phenyl-1H-pyrazol-4-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445140
SMILES Clc1ccc(cc1)CSc1nnc2c(n1)OC(Nc1c2cccc1)c1c[nH]nc1c1ccccc1
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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 C26H19ClN6OS MW 499.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN6OS/c27-18-12-10-16(11-13-18)15-35-26-30-25-23(32-33-26)19-8-4-5-9-21(19)29-24(34-25)20-14-28-31-22(20)17-6-2-1-3-7-17/h1-14,24,29H,15H2,(H,28,31)InChIKey
GKVMIFAYPZJVAF-UHFFFAOYSA-NSynonyms
3((4chlorobenzyl)sulfanyl)6(3phenyl1Hpyrazol4yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3((4CHLOROPHENYL)METHYLSULFANYL)6(5PHENYL1HPYRAZOL4YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
C1=CC=C(C=C1)C2=C(C=NN2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=C(C=C6)Cl
Clc1ccc(cc1)CSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(nH)nc1c1ccccc1
InChI=1SC26H19ClN6OSc2718121016(111318)153526302523(323326)19845921(19)2924(3425)2014283122(20)176213717h1142429H15H2(H2831)
MFCD02376761
ZINC000001409676
ZINC000001409677
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