Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK804142
SMILES NC(=O)CSc1nnc(n1C)c1ccc2c(c1)OCO2
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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 C12H12N4O3S MW 292.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N4O3S/c1-16-11(14-15-12(16)20-5-10(13)17)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H2,13,17)InChIKey
OKDOUBNDIFCFIH-UHFFFAOYSA-NSynonyms
2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)acetamide
2(5(2HBENZO(34D)13DIOXOLAN5YL)4METHYL124TRIAZOL3YLTHIO)ACETAMIDE
2(5BENZO(13)DIOXOL5YL4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETAMIDE
CN1C(=NN=C1SCC(=O)N)C2=CC3=C(C=C2)OCO3
InChI=1SC12H12N4O3Sc11611(141512(16)20510(13)17)72389(47)196188h24H56H21H3(H21317)
MFCD04206981
ZINC000001325409
ZINC01325409
ZINC1325409
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