Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-{[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406167
SMILES CCn1c(SCC(=O)NCc2ccc3c(c2)OCCCO3)nnc1c1ccc2c(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 C24H26N4O5S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O5S/c1-2-28-23(17-5-7-19-21(13-17)33-11-10-32-19)26-27-24(28)34-15-22(29)25-14-16-4-6-18-20(12-16)31-9-3-8-30-18/h4-7,12-13H,2-3,8-11,14-15H2,1H3,(H,25,29)InChIKey
UJGVZSPFNFBOTO-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NCC2=CC3=C(C=C2)OCCCO3)C4=CC5=C(C=C4)OCCO5
InChI=1SC24H26N4O5Sc122823(17571921(1317)3311103219)262724(28)341522(29)251416461820(1216)319383018h471213H238111415H21H3(H2529)
MFCD15078990
N(34dihydro2H15benzodioxepin7ylmethyl)2((5(23dihydro14benzodioxin6yl)4ethyl124triazol3yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7ylmethyl)2((5(23dihydro14benzodioxin6yl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000033087559
ZINC33087559
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