Vitas-M small molecule compound
5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
Catalog ID
STL415591
SMILES CCOc1ccccc1c1noc(n1)CSc1nnc(n1c1ccc(cc1)C)Cc1ccccc1
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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 C27H25N5O2S MW 483.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O2S/c1-3-33-23-12-8-7-11-22(23)26-28-25(34-31-26)18-35-27-30-29-24(17-20-9-5-4-6-10-20)32(27)21-15-13-19(2)14-16-21/h4-16H,3,17-18H2,1-2H3InChIKey
HEKNFLVBICLTKD-UHFFFAOYSA-NSynonyms
5(((5benzyl4(4methylphenyl)4H124triazol3yl)sulfanyl)methyl)3(2ethoxyphenyl)124oxadiazole
5((5BENZYL4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)3(2ETHOXYPHENYL)124OXADIAZOLE
CCOC1=CC=CC=C1C2=NOC(=N2)CSC3=NN=C(N3C4=CC=C(C=C4)C)CC5=CC=CC=C5
InChI=1SC27H25N5O2Sc13332312871122(23)262825(343126)183527302924(172095461020)32(27)21151319(2)141621h416H31718H212H3
MFCD14812440
ZINC000009185059
ZINC9185059
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