Vitas-M small molecule compound
8-({(E)-[4-(benzyloxy)phenyl]methylidene}amino)-6-tert-butyl[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-one
Catalog ID
STL266361
SMILES O=c1n(/N=C/c2ccc(cc2)OCc2ccccc2)c2nncn2nc1C(C)(C)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 C22H22N6O2 MW 402.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2/c1-22(2,3)19-20(29)28(21-25-23-15-27(21)26-19)24-13-16-9-11-18(12-10-16)30-14-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3/b24-13+InChIKey
KGFZGRMIUHNNEF-ZMOGYAJESA-NSynonyms
539813-19-9539813199
6tertbutyl8((E)(4phenylmethoxyphenyl)methylideneamino)(124)triazolo(43b)(124)triazin7one
8(((E)(4(benzyloxy)phenyl)methylidene)amino)6tertbutyl(124)triazolo(43b)(124)triazin7(8H)one
CC(C)(C)C1=NN2C=NN=C2N(C1=O)N=CC3=CC=C(C=C3)OCC4=CC=CC=C4
InChI=1SC22H22N6O2c122(23)1920(29)28(2125231527(21)2619)24131691118(121016)3014177546817h41315H14H213H3b2413+
MFCD04426611
O=c1n(N=Cc2ccc(cc2)OCc2ccccc2)c2nncn2nc1C(C)(C)C
ZINC000004279684
ZINC38204689
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