Vitas-M small molecule compound
3-(hexylsulfanyl)-6-(pyridin-2-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK326633
SMILES CCCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccn1
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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 C21H23N5OS MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5OS/c1-2-3-4-9-14-28-21-24-20-18(25-26-21)15-10-5-6-11-16(15)23-19(27-20)17-12-7-8-13-22-17/h5-8,10-13,19,23H,2-4,9,14H2,1H3InChIKey
XRLCLUCOACWVBC-UHFFFAOYSA-NSynonyms
3(hexylsulfanyl)6(pyridin2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3(HEXYLTHIO)6(2PYRIDINYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
3HEXYLSULFANYL6PYRIDIN2YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=N4)N=N1
InChI=1SC21H23N5OSc12349142821242018(252621)1510561116(15)2319(2720)171278132217h5810131923H24914H21H3
MFCD04151495
ZINC000002086909
ZINC000002086910
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