Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
Catalog ID
STL406054
SMILES CCCNC(=O)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2
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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 C17H22N4O3S MW 362.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S/c1-3-7-18-15(22)11-25-17-20-19-16(21(17)2)12-5-6-13-14(10-12)24-9-4-8-23-13/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,18,22)InChIKey
DISWNMLATZGBFI-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)Npropylacetamide
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)Npropylacetamide
CCCNC(=O)CSC1=NN=C(N1C)C2=CC3=C(C=C2)OCCCO3
InChI=1SC17H22N4O3Sc1371815(22)112517201916(21(17)2)12561314(1012)249482313h5610H347911H212H3(H1822)
MFCD27221241
ZINC000064987249
ZINC64987249
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