Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-methoxyphenyl acetate
Catalog ID
STK556161
SMILES COc1cc(/C=N/NC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)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 C19H19N9O5S2 MW 517.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N9O5S2/c1-10(29)32-13-4-3-11(7-14(13)31-2)8-22-24-18(30)15-12(9-35-19-21-5-6-34-19)28(27-23-15)17-16(20)25-33-26-17/h3-4,7-8H,5-6,9H2,1-2H3,(H2,20,25)(H,24,30)/b22-8+InChIKey
UBCZFKOFYXJUMF-GZIVZEMBSA-NSynonyms
843636-26-0(4((E)((1(4amino125oxadiazol3yl)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)2methoxyphenyl)acetate
(E)4((2(1(4amino125oxadiazol3yl)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbonyl)hydrazono)methyl)2methoxyphenylacetate
4((E)(2((1(4amino125oxadiazol3yl)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2methoxyphenylacetate
843636260
CC(=O)OC1=C(C=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4)OC
COc1cc(C=NNC(=O)c2nnn(c2CSC2=NCCS2)c2nonc2N)ccc1OC(=O)C
InChI=1SC19H19N9O5S2c110(29)32134311(714(13)312)8222418(30)1512(9351921563419)28(272315)1716(20)25332617h3478H569H212H3(H22025)(H2430)b228+
MFCD03340140
ZINC000008969032
ZINC35045878
Check stock
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Check stock on Vitas-MAvailable files
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