Vitas-M small molecule compound
2-{[5-(5-bromo-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Catalog ID
STK211479
SMILES C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1c1cc2c(o1)ccc(c2)Br
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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 C22H19BrN4O3S MW 499.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3S/c1-3-10-27-21(19-12-14-11-15(23)8-9-17(14)30-19)25-26-22(27)31-13-20(28)24-16-6-4-5-7-18(16)29-2/h3-9,11-12H,1,10,13H2,2H3,(H,24,28)InChIKey
KTGQCBXOOWNSCU-UHFFFAOYSA-NSynonyms
2((5(5BROMO1BENZOFURAN2YL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)N(2METHOXYPHENYL)ACETAMIDE
2((5(5bromo1benzofuran2yl)4prop2enyl124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
2(4ALLYL5(5BROMOBENZOFURAN2YL)4H(124)TRIAZOL3YLSULFANYL)N(2METHOXYPHENYL)ACETAMIDE
COC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=CC4=C(O3)C=CC(=C4)Br
InChI=1SC22H19BrN4O3Sc13102721(1912141115(23)8917(14)3019)252622(27)311320(28)2416645718(16)292h391112H11013H22H3(H2428)
MFCD04401634
ZINC000009260886
ZINC09260886
ZINC9260886
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