Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Catalog ID
STL415846
SMILES COc1ccccc1NC(=O)CSc1nnc(n1CC)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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-3-26-21(15-9-10-18-19(13-15)30-12-6-11-29-18)24-25-22(26)31-14-20(27)23-16-7-4-5-8-17(16)28-2/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,27)InChIKey
GSLMQVZZDYJCTB-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)N(2methoxyphenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2OC)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H24N4O4Sc132621(159101819(1315)30126112918)242522(26)311420(27)2316745817(16)282h4571013H36111214H212H3(H2327)
MFCD27220692
ZINC000064986900
ZINC64986900
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