Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-{[5-(furan-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406162
SMILES O=C(NCc1ccc2c(c1)OCCCO2)CSc1nnc(n1C)c1ccco1
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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 C19H20N4O4S MW 400.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O4S/c1-23-18(15-4-2-7-26-15)21-22-19(23)28-12-17(24)20-11-13-5-6-14-16(10-13)27-9-3-8-25-14/h2,4-7,10H,3,8-9,11-12H2,1H3,(H,20,24)InChIKey
GJNNDPDYEMSHND-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCCCO3)C4=CC=CO4
InChI=1SC19H20N4O4Sc12318(154272615)212219(23)281217(24)201113561416(1013)279382514h24710H3891112H21H3(H2024)
MFCD27220983
N(34dihydro2H15benzodioxepin7ylmethyl)2((5(furan2yl)4methyl124triazol3yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7ylmethyl)2((5(furan2yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064987071
ZINC64987071
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