Vitas-M small molecule compound
N-{3-[2-(4-methoxyphenyl)ethyl]-1H-1,2,4-triazol-5-yl}-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL313254
SMILES COc1ccc(cc1)CCc1n[nH]c(n1)NC(=O)c1ccc2c(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/c1-27-16-7-3-14(4-8-16)5-10-19-22-21(25-24-19)23-20(26)15-6-9-17-18(13-15)29-12-2-11-28-17/h3-4,6-9,13H,2,5,10-12H2,1H3,(H2,22,23,24,25,26)InChIKey
YNDQCUDVJFDQSJ-UHFFFAOYSA-NSynonyms
1574404-84-41574404844
COC1=CC=C(C=C1)CCC2=NC(=NN2)NC(=O)C3=CC4=C(C=C3)OCCCO4
COc1ccc(cc1)CCc1(nH)nc(n1)NC(=O)c1ccc2c(c1)OCCCO2
COc1ccc(cc1)CCc1n(nH)c(n1)NC(=O)c1ccc2c(c1)OCCCO2
InChI=1SC21H22N4O4c127167314(4816)510192221(252419)2320(26)15691718(1315)29122112817h346913H251012H21H3(H22223242526)
MFCD28030004
N(3(2(4methoxyphenyl)ethyl)1H124triazol5yl)34dihydro2H15benzodioxepine7carboxamide
N(5(2(4methoxyphenyl)ethyl)1H124triazol3yl)34dihydro2H15benzodioxepine7carboxamide
N(5(4methoxyphenethyl)1H124triazol3yl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
ZINC000095475394
ZINC95475394
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