Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-({5-[(2-methoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

Catalog ID
STK222131
SMILES COc1cc(C)ccc1OCc1nnc(n1C)SCC(=O)Nc1ccc2c(c1)OCO2

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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 C21H22N4O5S MW 442.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O5S/c1-13-4-6-15(17(8-13)27-3)28-10-19-23-24-21(25(19)2)31-11-20(26)22-14-5-7-16-18(9-14)30-12-29-16/h4-9H,10-12H2,1-3H3,(H,22,26)
InChIKey
NWSJPMMDXYARIH-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)OCO4)OC
InChI=1SC21H22N4O5Sc1134615(17(813)273)281019232421(25(19)2)311120(26)2214571618(914)30122916h49H1012H213H3(H2226)
MFCD07403178
N(13BENZODIOXOL5YL)2((5((2METHOXY4METHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((5((2methoxy4methylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000009303804
ZINC09303804
ZINC9303804

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Available files

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