Vitas-M small molecule compound
N-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
Catalog ID
STL314711
SMILES O=C(Nc1[nH]nc(n1)C1CC1)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 C16H18N4O3 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O3/c21-14(17-16-18-15(19-20-16)11-3-4-11)9-10-2-5-12-13(8-10)23-7-1-6-22-12/h2,5,8,11H,1,3-4,6-7,9H2,(H2,17,18,19,20,21)InChIKey
WPWMTEJBHDRMKW-UHFFFAOYSA-NSynonyms
1574366-09-81574366098
C1COC2=C(C=C(C=C2)CC(=O)NC3=NNC(=N3)C4CC4)OC1
InChI=1SC16H18N4O3c2114(17161815(192016)113411)910251213(810)237162212h25811H134679H2(H21718192021)
MFCD28026834
N(3cyclopropyl1H124triazol5yl)2(34dihydro2H15benzodioxepin7yl)acetamide
N(5cyclopropyl1H124triazol3yl)2(34dihydro2H15benzodioxepin7yl)acetamide
N(5cyclopropyl1H124triazol3yl)2(34dihydro2Hbenzo(b)(14)dioxepin7yl)acetamide
O=C(Nc1(nH)nc(n1)C1CC1)Cc1ccc2c(c1)OCCCO2
O=C(Nc1n(nH)c(n1)C1CC1)Cc1ccc2c(c1)OCCCO2
ZINC000095476523
ZINC95476523
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