Vitas-M small molecule compound
2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethanone
Catalog ID
STK186941
SMILES CCOc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)c1ccc(cc1)OC
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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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-5-28-20-12-15(2)6-11-19(20)29-13-21-23-24-22(25(21)3)30-14-18(26)16-7-9-17(27-4)10-8-16/h6-12H,5,13-14H2,1-4H3InChIKey
VRRJMFVRYFKSMG-UHFFFAOYSA-NSynonyms
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
2((5((2ETHOXY4METHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(4METHOXYPHENYL)ETHANONE
CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC
InChI=1SC22H25N3O4Sc1528201215(2)61119(20)291321232422(25(21)3)301418(26)167917(274)10816h612H51314H214H3
MFCD06626613
ZINC000002877003
ZINC02877003
ZINC2877003
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