Vitas-M small molecule compound
4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}-2-ethoxyphenyl 3-methyl-4-nitrobenzoate
Catalog ID
STK547004
SMILES CCOc1cc(/C=N/NC(=O)c2nnn(c2CN(CC)CC)c2nonc2N)ccc1OC(=O)c1ccc(c(c1)C)[N+](=O)[O-]
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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 C27H30N10O7 MW 606.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N10O7/c1-5-35(6-2)15-20-23(30-34-36(20)25-24(28)32-44-33-25)26(38)31-29-14-17-8-11-21(22(13-17)42-7-3)43-27(39)18-9-10-19(37(40)41)16(4)12-18/h8-14H,5-7,15H2,1-4H3,(H2,28,32)(H,31,38)/b29-14+InChIKey
MAYVDNJTFPNSRB-IPPBACCNSA-NSynonyms
(4((E)((1(4amino125oxadiazol3yl)5(diethylaminomethyl)triazole4carbonyl)hydrazinylidene)methyl)2ethoxyphenyl)3methyl4nitrobenzoate
(E)4((2(1(4amino125oxadiazol3yl)5((diethylamino)methyl)1H123triazole4carbonyl)hydrazono)methyl)2ethoxyphenyl3methyl4nitrobenzoate
4((E)(2((1(4amino125oxadiazol3yl)5((diethylamino)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)2ethoxyphenyl3methyl4nitrobenzoate
CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)NN=CC3=CC(=C(C=C3)OC(=O)C4=CC(=C(C=C4)(N+)(=O)(O))C)OCC
CCOc1cc(C=NNC(=O)c2nnn(c2CN(CC)CC)c2nonc2N)ccc1OC(=O)c1ccc(c(c1)C)(N+)(=O)(O)
InChI=1SC27H30N10O7c1535(62)152023(303436(20)2524(28)32443325)26(38)3129141781121(22(1317)4273)4327(39)1891019(37(40)41)16(4)1218h814H5715H214H3(H22832)(H3138)b2914+
MFCD03303479
ZINC000102446624
ZINC102446617
Check stock
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Check stock on Vitas-MAvailable files
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