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-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL415902
SMILES O=C(Nc1ccc2c(c1)OCCCO2)CSc1nnc(n1C)Cc1ccc2c(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/c1-28-22(13-16-4-6-18-20(12-16)32-10-2-8-30-18)26-27-24(28)34-15-23(29)25-17-5-7-19-21(14-17)33-11-3-9-31-19/h4-7,12,14H,2-3,8-11,13,15H2,1H3,(H,25,29)InChIKey
ZZQHEXKESYVVMC-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCCO3)CC4=CC5=C(C=C4)OCCCO5
InChI=1SC24H26N4O5Sc12822(1316461820(1216)3210283018)262724(28)341523(29)2517571921(1417)3311393119h471214H238111315H21H3(H2529)
MFCD30706864
N(34dihydro2H15benzodioxepin7yl)2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl124triazol3yl)sulfanyl)acetamide
N(34dihydro2H15benzodioxepin7yl)2((5(34dihydro2H15benzodioxepin7ylmethyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000101160563
ZINC101160563
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