Vitas-M small molecule compound
N-[3-(tetrahydrofuran-2-yl)-1H-1,2,4-triazol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Catalog ID
STL317672
SMILES O=C(c1ccc2c(c1)OCCCO2)Nc1[nH]nc(n1)C1CCCO1
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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 C16H18N4O4 MW 330.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4/c21-15(10-4-5-11-13(9-10)24-8-2-7-22-11)18-16-17-14(19-20-16)12-3-1-6-23-12/h4-5,9,12H,1-3,6-8H2,(H2,17,18,19,20,21)InChIKey
HIFBDBSOOCBDNN-UHFFFAOYSA-NSynonyms
1574494-30-61574494306
C1CC(OC1)C2=NC(=NN2)NC(=O)C3=CC4=C(C=C3)OCCCO4
InChI=1SC16H18N4O4c2115(10451113(910)248272211)18161714(192016)123162312h45912H1368H2(H21718192021)
MFCD28028513
N(3(tetrahydrofuran2yl)1H124triazol5yl)34dihydro2H15benzodioxepine7carboxamide
N(5(oxolan2yl)1H124triazol3yl)34dihydro2H15benzodioxepine7carboxamide
N(5(tetrahydrofuran2yl)1H124triazol3yl)34dihydro2Hbenzo(b)(14)dioxepine7carboxamide
O=C(c1ccc2c(c1)OCCCO2)Nc1(nH)nc(n1)C1CCCO1
O=C(c1ccc2c(c1)OCCCO2)Nc1n(nH)c(n1)C1CCCO1
ZINC000095478720
ZINC000095478721
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