Vitas-M small molecule compound
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[3-(4-methoxybenzyl)-1H-1,2,4-triazol-5-yl]acetamide
Catalog ID
STL310843
SMILES COc1ccc(cc1)Cc1n[nH]c(n1)NC(=O)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 C21H22N4O4 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O4/c1-27-16-6-3-14(4-7-16)12-19-22-21(25-24-19)23-20(26)13-15-5-8-17-18(11-15)29-10-2-9-28-17/h3-8,11H,2,9-10,12-13H2,1H3,(H2,22,23,24,25,26)InChIKey
PXWDLGPVJOQSSE-UHFFFAOYSA-NSynonyms
1574335-77-51574335775
2(34dihydro2H15benzodioxepin7yl)N(3(4methoxybenzyl)1H124triazol5yl)acetamide
2(34dihydro2H15benzodioxepin7yl)N(5((4methoxyphenyl)methyl)1H124triazol3yl)acetamide
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)N(5(4methoxybenzyl)1H124triazol3yl)acetamide
COC1=CC=C(C=C1)CC2=NC(=NN2)NC(=O)CC3=CC4=C(C=C3)OCCCO4
COc1ccc(cc1)Cc1(nH)nc(n1)NC(=O)Cc1ccc2c(c1)OCCCO2
COc1ccc(cc1)Cc1n(nH)c(n1)NC(=O)Cc1ccc2c(c1)OCCCO2
InChI=1SC21H22N4O4c127166314(4716)12192221(252419)2320(26)1315581718(1115)2910292817h3811H29101213H21H3(H22223242526)
MFCD28025753
ZINC000095473637
ZINC95473637
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