Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK221583
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nnc(n1C)c1cc2c(o1)cccc2
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-24-19(17-8-12-4-2-3-5-14(12)28-17)22-23-20(24)29-10-18(25)21-13-6-7-15-16(9-13)27-11-26-15/h2-9H,10-11H2,1H3,(H,21,25)InChIKey
QDVXEEOEBYREPC-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=CC5=CC=CC=C5O4
InChI=1SC20H16N4O4Sc12419(17812423514(12)2817)222320(24)291018(25)2113671516(913)27112615h29H1011H21H3(H2125)
MFCD07399549
N(13BENZODIOXOL5YL)2((5(1BENZOFURAN2YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(13BENZODIOXOL5YL)2((5(1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000004816086
ZINC04816086
ZINC4816086
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