Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-({5-[(2,5-dimethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK218690
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)COc1cc(C)ccc1C
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-13-4-5-14(2)17(8-13)27-10-19-23-24-21(25(19)3)30-11-20(26)22-15-6-7-16-18(9-15)29-12-28-16/h4-9H,10-12H2,1-3H3,(H,22,26)InChIKey
HXZCGZIGRJXMGJ-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C)SCC(=O)NC3=CC4=C(C=C3)OCO4
InChI=1SC21H22N4O4Sc1134514(2)17(813)271019232421(25(19)3)301120(26)2215671618(915)29122816h49H1012H213H3(H2226)
MFCD07399508
N(13BENZODIOXOL5YL)2((5((25DIMETHYLPHENOXY)METHYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((5((25DIMETHYLPHENOXY)METHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000009263525
ZINC09263525
ZINC9263525
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