Vitas-M small molecule compound
1-(1H-indol-3-yl)-2-{[5-(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL406131
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)c1c[nH]c2c1cccc2
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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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-27-22(15-10-20-21(11-19(15)29-2)31-9-5-8-30-20)25-26-23(27)32-13-18(28)16-12-24-17-7-4-3-6-14(16)17/h3-4,6-7,10-12,24H,5,8-9,13H2,1-2H3InChIKey
AMERNZULVWHLNJ-UHFFFAOYSA-NSynonyms
1(1Hindol3yl)2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)ethanone
1(1Hindol3yl)2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4OC)OCCCO5
COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)c1c(nH)c2c1cccc2
InChI=1SC23H22N4O4Sc12722(15102021(1119(15)292)319583020)252623(27)321318(28)16122417743614(16)17h3467101224H58913H212H3
MFCD27220731
ZINC000035453968
ZINC35453968
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