Vitas-M small molecule compound
3-(pentylsulfanyl)-6-(pyridin-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169849
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccnc1
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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 C20H21N5OS MW 379.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5OS/c1-2-3-6-12-27-20-23-19-17(24-25-20)15-9-4-5-10-16(15)22-18(26-19)14-8-7-11-21-13-14/h4-5,7-11,13,18,22H,2-3,6,12H2,1H3InChIKey
DGAMWLUAPNZHBO-UHFFFAOYSA-NSynonyms
3(PENTYLSULFANYL)6(3PYRIDINYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
3(pentylsulfanyl)6(pyridin3yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3PENTYLSULFANYL6PYRIDIN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CN=CC=C4)N=N1
InChI=1SC20H21N5OSc1236122720231917(242520)159451016(15)2218(2619)148711211314h45711131822H23612H21H3
MFCD01647923
ZINC000002084579
ZINC000002084580
ZINC03858493
ZINC03858494
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