Vitas-M small molecule compound
N-(4-chlorophenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406009
SMILES CCn1c(SCC(=O)Nc2ccc(cc2)Cl)nnc1c1cc2OCCCOc2cc1C
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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 C22H23ClN4O3S MW 458.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O3S/c1-3-27-21(17-12-19-18(11-14(17)2)29-9-4-10-30-19)25-26-22(27)31-13-20(28)24-16-7-5-15(23)6-8-16/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H,24,28)InChIKey
FAUHSSOZMXXLQD-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3C)OCCCO4
InChI=1SC22H23ClN4O3Sc132721(17121918(1114(17)2)2994103019)252622(27)311320(28)24167515(23)6816h581112H3491013H212H3(H2428)
MFCD27221096
N(4chlorophenyl)2((4ethyl5(8methyl34dihydro2H15benzodioxepin7yl)124triazol3yl)sulfanyl)acetamide
N(4chlorophenyl)2((4ethyl5(8methyl34dihydro2H15benzodioxepin7yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000064987182
ZINC64987182
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