Vitas-M small molecule compound
6-(2-ethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979866
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccccc1OCC
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-3-13-28-21-23-20-18(24-25-21)14-9-5-7-11-16(14)22-19(27-20)15-10-6-8-12-17(15)26-4-2/h5-12,19,22H,3-4,13H2,1-2H3InChIKey
OASXHIVHHDGWLP-UHFFFAOYSA-NSynonyms
354551-07-8354551078
6(2ethoxyphenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(2ETHOXYPHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4OCC)N=N1
InChI=1SC21H22N4O2Sc13132821232018(242521)149571116(14)2219(2720)1510681217(15)2642h5121922H3413H212H3
MFCD01648209
ZINC000002095798
ZINC000002095801
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