Vitas-M small molecule compound
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Catalog ID
STK766399
SMILES CCOC(=O)c1nnn(c1CSc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)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 C22H30N6O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N6O4S/c1-8-31-20(30)16-15(28(27-24-16)19-18(23)25-32-26-19)11-33-12-9-13(21(2,3)4)17(29)14(10-12)22(5,6)7/h9-10,29H,8,11H2,1-7H3,(H2,23,25)InChIKey
NUHSPBXSSKBXJO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)C2=NON=C2N)CSC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
ethyl1(4amino125oxadiazol3yl)5(((35ditertbutyl4hydroxyphenyl)sulfanyl)methyl)1H123triazole4carboxylate
ETHYL1(4AMINO125OXADIAZOL3YL)5((35DITERTBUTYL4HYDROXYPHENYL)SULFANYLMETHYL)TRIAZOLE4CARBOXYLATE
InChI=1SC22H30N6O4Sc183120(30)1615(28(272416)1918(23)25322619)113312913(21(23)4)17(29)14(1012)22(56)7h91029H811H217H3(H22325)
MFCD02934964
ZINC000002191974
ZINC02191974
ZINC2191974
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