Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406118
SMILES CCn1c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nnc1c1ccc2c(c1)OCCCO2
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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 C24H26N4O5S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5S/c1-2-28-23(16-5-7-18-20(13-16)32-11-3-9-30-18)26-27-24(28)34-15-22(29)25-17-6-8-19-21(14-17)33-12-4-10-31-19/h5-8,13-14H,2-4,9-12,15H2,1H3,(H,25,29)InChIKey
RGVUOCXNANXPTC-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O5Sc122823(16571820(1316)3211393018)262724(28)341522(29)2517681921(1417)33124103119h581314H2491215H21H3(H2529)
MFCD15078954
N(34dihydro2H15benzodioxepin7yl)2((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7yl)2((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000033087531
ZINC33087531
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