Vitas-M small molecule compound
6-[4-(prop-2-en-1-yloxy)phenyl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL445116
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)OCC=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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-13-27-16-11-9-15(10-12-16)20-23-18-8-6-5-7-17(18)19-21(28-20)24-22(26-25-19)29-14-4-2/h3,5-12,20,23H,1,4,13-14H2,2H3InChIKey
BXSJWENNTJUSGK-UHFFFAOYSA-NSynonyms
6(4(prop2en1yloxy)phenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4PROP2ENOXYPHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)OCC=C)N=N1
InChI=1SC22H22N4O2Sc1313271611915(101216)202318865717(18)1921(2820)2422(262519)291442h35122023H141314H22H3
MFCD01030376
ZINC000002057173
ZINC000002057174
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