Vitas-M small molecule compound
3-[(2-ethoxy-4-methylphenoxy)methyl]-4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazole
Catalog ID
STK218943
SMILES CCOc1cc(C)ccc1OCc1nnc(n1CC)SCc1ccc(cc1)[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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-4-24-20(13-29-18-11-6-15(3)12-19(18)28-5-2)22-23-21(24)30-14-16-7-9-17(10-8-16)25(26)27/h6-12H,4-5,13-14H2,1-3H3InChIKey
PZLNJXKRUSJCBZ-UHFFFAOYSA-NSynonyms
3((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOLE
3((2ETHOXY4METHYLPHENOXY)METHYL)4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOLE
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))COC3=C(C=C(C=C3)C)OCC
CCOc1cc(C)ccc1OCc1nnc(n1CC)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC21H24N4O4Sc142420(13291811615(3)1219(18)2852)222321(24)3014167917(10816)25(26)27h612H451314H213H3
MFCD06000392
ZINC000001074960
ZINC01074960
ZINC1074960
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