Vitas-M small molecule compound
4-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-(4-nitrophenyl)-1,3,5-triazin-2-amine
Catalog ID
STK033031
SMILES COc1ccc(cc1OC)/C=N/Nc1nc(nc(n1)Nc1ccc(cc1)[N+](=O)[O-])OC(C(F)(F)F)C(F)(F)F
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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 C21H17F6N7O5 MW 561.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F6N7O5/c1-37-14-8-3-11(9-15(14)38-2)10-28-33-18-30-17(29-12-4-6-13(7-5-12)34(35)36)31-19(32-18)39-16(20(22,23)24)21(25,26)27/h3-10,16H,1-2H3,(H2,29,30,31,32,33)/b28-10+InChIKey
KHLJZTIAEYANMN-ORBVJSQLSA-NSynonyms
2N((E)(34dimethoxyphenyl)methylideneamino)6(111333hexafluoropropan2yloxy)4N(4nitrophenyl)135triazine24diamine
4((2E)2(34dimethoxybenzylidene)hydrazinyl)6((111333hexafluoropropan2yl)oxy)N(4nitrophenyl)135triazin2amine
COC1=C(C=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)(N+)(=O)(O))OC(C(F)(F)F)C(F)(F)F)OC
COc1ccc(cc1OC)C=NNc1nc(nc(n1)Nc1ccc(cc1)(N+)(=O)(O))OC(C(F)(F)F)C(F)(F)F
InChI=1SC21H17F6N7O5c137148311(915(14)382)102833183017(29124613(7512)34(35)36)3119(3218)3916(20(2223)24)21(2526)27h31016H12H3(H22930313233)b2810+
MFCD06652262
STK033031
ZINC000101417725
ZINC101417723
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