Vitas-M small molecule compound
2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Catalog ID
STL406176
SMILES COc1cc2OCCCOc2cc1CNC(=O)CSc1nnc(n1C)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 C24H26N4O6S MW 498.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O6S/c1-28-23(15-4-5-17-19(10-15)34-9-8-33-17)26-27-24(28)35-14-22(29)25-13-16-11-20-21(12-18(16)30-2)32-7-3-6-31-20/h4-5,10-12H,3,6-9,13-14H2,1-2H3,(H,25,29)InChIKey
XVFDKVSVPRGPJF-UHFFFAOYSA-NSynonyms
2((5(23dihydro14benzodioxin6yl)4methyl124triazol3yl)sulfanyl)N((7methoxy34dihydro2H15benzodioxepin8yl)methyl)acetamide
2((5(23dihydro14benzodioxin6yl)4methyl4H124triazol3yl)sulfanyl)N((8methoxy34dihydro2H15benzodioxepin7yl)methyl)acetamide
CN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2OC)OCCCO3)C4=CC5=C(C=C4)OCCO5
InChI=1SC24H26N4O6Sc12823(15451719(1015)34983317)262724(28)351422(29)251316112021(1218(16)302)327363120h451012H3691314H212H3(H2529)
MFCD27221026
ZINC000064987116
ZINC64987116
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