Vitas-M small molecule compound
N-benzyl-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406193
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)NCc1ccccc1
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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/c1-26-21(16-11-18-19(12-17(16)28-2)30-10-6-9-29-18)24-25-22(26)31-14-20(27)23-13-15-7-4-3-5-8-15/h3-5,7-8,11-12H,6,9-10,13-14H2,1-2H3,(H,23,27)InChIKey
MJCNDHFNKRKSRN-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(C=C3OC)OCCCO4
InChI=1SC22H24N4O4Sc12621(16111819(1217(16)282)3010692918)242522(26)311420(27)2313157435815h35781112H69101314H212H3(H2327)
MFCD27220729
Nbenzyl2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)acetamide
Nbenzyl2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000064986933
ZINC64986933
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