Vitas-M small molecule compound
1-(2,3-dihydro-1,4-benzodioxin-6-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
STL415874
SMILES COc1cc2OCCCOc2cc1c1nnc(n1C)SCC(=O)c1ccc2c(c1)OCCO2
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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 C23H23N3O6S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O6S/c1-26-22(15-11-20-21(12-18(15)28-2)30-7-3-6-29-20)24-25-23(26)33-13-16(27)14-4-5-17-19(10-14)32-9-8-31-17/h4-5,10-12H,3,6-9,13H2,1-2H3InChIKey
AVRWJFVQMWMXEF-UHFFFAOYSA-NSynonyms
1(23dihydro14benzodioxin6yl)2((5(7methoxy34dihydro2H15benzodioxepin8yl)4methyl124triazol3yl)sulfanyl)ethanone
1(23dihydro14benzodioxin6yl)2((5(8methoxy34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC5=C(C=C4OC)OCCCO5
InChI=1SC23H23N3O6Sc12622(15112021(1218(15)282)307362920)242523(26)331316(27)14451719(1014)32983117h451012H36913H212H3
MFCD27220714
ZINC000064986918
ZINC64986918
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