Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2,6-dimethoxyphenyl acetate
Catalog ID
STK545940
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(c1OC(=O)C)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 C19H23N9O6 MW 473.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N9O6/c1-10(29)33-16-13(31-4)6-11(7-14(16)32-5)8-21-23-19(30)15-12(9-27(2)3)28(26-22-15)18-17(20)24-34-25-18/h6-8H,9H2,1-5H3,(H2,20,24)(H,23,30)/b21-8+InChIKey
LGHSIQDBYRBVDN-ODCIPOBUSA-NSynonyms
488131-37-9(4((E)((1(4amino125oxadiazol3yl)5((dimethylamino)methyl)triazole4carbonyl)hydrazinylidene)methyl)26dimethoxyphenyl)acetate
(E)4((2(1(4amino125oxadiazol3yl)5((dimethylamino)methyl)1H123triazole4carbonyl)hydrazono)methyl)26dimethoxyphenylacetate
4((E)(2((1(4amino125oxadiazol3yl)5((dimethylamino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)26dimethoxyphenylacetate
488131379
CC(=O)OC1=C(C=C(C=C1OC)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C)OC
COc1cc(C=NNC(=O)c2nnn(c2CN(C)C)c2nonc2N)cc(c1OC(=O)C)OC
InChI=1SC19H23N9O6c110(29)331613(314)611(714(16)325)8212319(30)1512(927(2)3)28(262215)1817(20)24342518h68H9H215H3(H22024)(H2330)b218+
MFCD03289858
ZINC000009019433
ZINC34877066
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