Vitas-M small molecule compound
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Catalog ID
STK931433
SMILES O=C(Nc1ccc2c(c1)OCCCO2)CCCn1nnc2c(c1=O)cccc2
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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 C20H20N4O4 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4/c25-19(21-14-8-9-17-18(13-14)28-12-4-11-27-17)7-3-10-24-20(26)15-5-1-2-6-16(15)22-23-24/h1-2,5-6,8-9,13H,3-4,7,10-12H2,(H,21,25)InChIKey
WQZAHYKMPFTRJA-UHFFFAOYSA-NSynonyms
1190288-83-51190288835
C1COC2=C(C=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4N=N3)OC1
InChI=1SC20H20N4O4c2519(2114891718(1314)28124112717)73102420(26)15512616(15)222324h12568913H3471012H2(H2125)
MFCD13759763
N(34dihydro2H15benzodioxepin7yl)4(4oxo123benzotriazin3(4H)yl)butanamide
N(34dihydro2H15benzodioxepin7yl)4(4oxo123benzotriazin3yl)butanamide
N(34dihydro2Hbenzo(b)(14)dioxepin7yl)4(4oxobenzo(d)(123)triazin3(4H)yl)butanamide
ZINC000036360624
ZINC36360624
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