Vitas-M small molecule compound
N-(1,3-benzodioxol-5-ylmethyl)-2-{[3-cyano-6-(4-methoxyphenyl)-4-(thiophen-2-yl)pyridin-2-yl]sulfanyl}acetamide
Catalog ID
STK842656
SMILES COc1ccc(cc1)c1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c(c(c1)c1cccs1)C#N
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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 C27H21N3O4S2 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21N3O4S2/c1-32-19-7-5-18(6-8-19)22-12-20(25-3-2-10-35-25)21(13-28)27(30-22)36-15-26(31)29-14-17-4-9-23-24(11-17)34-16-33-23/h2-12H,14-16H2,1H3,(H,29,31)InChIKey
KNNXHGUEZJQYDB-UHFFFAOYSA-NSynonyms
445381-31-7445381317
COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)SCC(=O)NCC4=CC5=C(C=C4)OCO5
InChI=1SC27H21N3O4S2c132197518(6819)221220(2532103525)21(1328)27(3022)361526(31)291417492324(1117)34163323h212H1416H21H3(H2931)
MFCD03075888
N(13benzodioxol5ylmethyl)2((3cyano6(4methoxyphenyl)4(thiophen2yl)pyridin2yl)sulfanyl)acetamide
N(13BENZODIOXOL5YLMETHYL)2(3CYANO6(4METHOXYPHENYL)4THIOPHEN2YLPYRIDIN2YL)SULFANYLACETAMIDE
N(benzo(d)(13)dioxol5ylmethyl)2((3cyano6(4methoxyphenyl)4(thiophen2yl)pyridin2yl)thio)acetamide
ZINC000000662344
ZINC00662344
ZINC662344
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