Vitas-M small molecule compound
2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
Catalog ID
STL415876
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)Nc1ccccc1
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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 C21H22N4O4S MW 426.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4S/c1-25-20(15-11-17-18(12-16(15)27-2)29-10-6-9-28-17)23-24-21(25)30-13-19(26)22-14-7-4-3-5-8-14/h3-5,7-8,11-12H,6,9-10,13H2,1-2H3,(H,22,26)InChIKey
FKVPMYMPDZSARD-UHFFFAOYSA-NSynonyms
2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)Nphenylacetamide
2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)Nphenylacetamide
CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3OC)OCCCO4
InChI=1SC21H22N4O4Sc12520(15111718(1216(15)272)2910692817)232421(25)301319(26)22147435814h35781112H691013H212H3(H2226)
MFCD27220718
ZINC000064986922
ZINC64986922
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