Vitas-M small molecule compound
6-(6-methylpyridin-2-yl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169815
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(n1)C
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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/c1-3-4-7-13-28-21-24-20-18(25-26-21)15-10-5-6-11-16(15)23-19(27-20)17-12-8-9-14(2)22-17/h5-6,8-12,19,23H,3-4,7,13H2,1-2H3InChIKey
VJTMRJNTFZHVPU-UHFFFAOYSA-NSynonyms
6(6methylpyridin2yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(6methylpyridin2yl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=NC(=CC=C4)C)N=N1
InChI=1SC21H23N5OSc1347132821242018(252621)1510561116(15)2319(2720)17128914(2)2217h568121923H34713H212H3
MFCD01648023
ZINC000002745118
ZINC000002745119
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