Vitas-M small molecule compound
diethyl 5,5'-[quinoxaline-2,3-diylbis(sulfanediylmethanediyl)]bis[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carboxylate]
Catalog ID
STK675104
SMILES CCOC(=O)c1nnn(c1CSc1nc2ccccc2nc1SCc1c(nnn1c1nonc1N)C(=O)OCC)c1nonc1N
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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 C24H22N14O6S2 MW 666.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N14O6S2/c1-3-41-23(39)15-13(37(35-29-15)19-17(25)31-43-33-19)9-45-21-22(28-12-8-6-5-7-11(12)27-21)46-10-14-16(24(40)42-4-2)30-36-38(14)20-18(26)32-44-34-20/h5-8H,3-4,9-10H2,1-2H3,(H2,25,31)(H2,26,32)InChIKey
QAVWPTWBZCIFLK-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=NC4=CC=CC=C4N=C3SCC5=C(N=NN5C6=NON=C6N)C(=O)OCC
diethyl55(quinoxaline23diylbis(sulfanediylmethanediyl))bis(1(4amino125oxadiazol3yl)1H123triazole4carboxylate)
ETHYL1(4AMINO125OXADIAZOL3YL)5((3((3(4AMINO125OXADIAZOL3YL)5ETHOXYCARBONYLTRIAZOL4YL)METHYLSULFANYL)QUINOXALIN2YL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
InChI=1SC24H22N14O6S2c134123(39)1513(37(352915)1917(25)31433319)9452122(2812865711(12)2721)46101416(24(40)4242)303638(14)2018(26)32443420h58H34910H212H3(H22531)(H22632)
MFCD01572628
ZINC000033355533
ZINC33355533
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