Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK593072
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1c1ccc(cc1)C)COc1ccccc1
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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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-17-7-10-19(11-8-17)29-23(14-31-20-5-3-2-4-6-20)27-28-25(29)34-15-24(30)26-18-9-12-21-22(13-18)33-16-32-21/h2-13H,14-16H2,1H3,(H,26,30)InChIKey
RTKMTBIBJKJTCJ-UHFFFAOYSA-NSynonyms
896850-96-7896850967
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCO4)COC5=CC=CC=C5
InChI=1SC25H22N4O4Sc11771019(11817)2923(1431205324620)272825(29)341524(30)26189122122(1318)33163221h213H1416H21H3(H2630)
MFCD06603032
N(13BENZODIOXOL5YL)2((4(4METHYLPHENYL)5(PHENOXYMETHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13benzodioxol5yl)2((4(4methylphenyl)5(phenoxymethyl)4H124triazol3yl)sulfanyl)acetamide
N(2H13BENZODIOXOL5YL)2((4(4METHYLPHENYL)5(PHENOXYMETHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(2HBENZO(34D)13DIOXOLEN5YL)2(4(4METHYLPHENYL)5(PHENOXYMETHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N(benzo(d)(13)dioxol5yl)2((5(phenoxymethyl)4(ptolyl)4H124triazol3yl)thio)acetamide
ZINC000002237052
ZINC02237052
ZINC2237052
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