Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Catalog ID
STL320082
SMILES O=C(C(n1nnc2c(c1=O)cccc2)C)Nc1ccc2c(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 C19H18N4O4 MW 366.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4/c1-12(23-19(25)14-5-2-3-6-15(14)21-22-23)18(24)20-13-7-8-16-17(11-13)27-10-4-9-26-16/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,20,24)InChIKey
UJZFWLOPEBZUMX-UHFFFAOYSA-NSynonyms
(S)N(34dihydro2Hbenzo(b)(14)dioxepin7yl)2(4oxobenzo(d)(123)triazin3(4H)yl)propanamide
CC(C(=O)NC1=CC2=C(C=C1)OCCCO2)N3C(=O)C4=CC=CC=C4N=N3
InChI=1SC19H18N4O4c112(2319(25)14523615(14)212223)18(24)2013781617(1113)2710492616h23581112H4910H21H3(H2024)
MFCD28029290
N(34dihydro2H15benzodioxepin7yl)2(4oxo123benzotriazin3(4H)yl)propanamide
N(34dihydro2H15benzodioxepin7yl)2(4oxo123benzotriazin3yl)propanamide
O=C((C@@H)(n1nnc2c(c1=O)cccc2)C)Nc1ccc2c(c1)OCCCO2
ZINC000054914508
ZINC000054914509
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