Vitas-M small molecule compound
3-(butylsulfanyl)-6-(pyridin-3-yl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169779
SMILES CCCCSc1nnc2c(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 C19H19N5OS MW 365.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N5OS/c1-2-3-11-26-19-22-18-16(23-24-19)14-8-4-5-9-15(14)21-17(25-18)13-7-6-10-20-12-13/h4-10,12,17,21H,2-3,11H2,1H3InChIKey
YURMNDKCWVZRCI-UHFFFAOYSA-NSynonyms
3(butylsulfanyl)6(pyridin3yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3BUTYLSULFANYL6PYRIDIN3YL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CN=CC=C4)N=N1
InChI=1SC19H19N5OSc123112619221816(232419)14845915(14)2117(2518)137610201213h410121721H2311H21H3
MFCD01466154
ZINC000004123917
ZINC000004123918
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