Vitas-M small molecule compound
6-(2,3-dimethoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979868
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cccc(c1OC)OC
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-4-12-29-21-23-20-17(24-25-21)13-8-5-6-10-15(13)22-19(28-20)14-9-7-11-16(26-2)18(14)27-3/h5-11,19,22H,4,12H2,1-3H3InChIKey
PXAOZEKWXXKMIM-UHFFFAOYSA-NSynonyms
6(23dimethoxyphenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(23dimethoxyphenyl)3propylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=CC=C4)OC)OC)N=N1
InChI=1SC21H22N4O3Sc14122921232017(242521)138561015(13)2219(2820)14971116(262)18(14)273h5111922H412H213H3
MFCD01647683
ZINC000002742155
ZINC000002742156
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