Vitas-M small molecule compound
N-(3-methylpent-1-yn-3-yl)-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
Catalog ID
STK773793
SMILES CCC(NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)(C#C)C
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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 C21H16N2O5 MW 376.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O5/c1-4-21(3,5-2)22-20(26)15-11-10-14-16(17(15)23(27)28)19(25)13-9-7-6-8-12(13)18(14)24/h1,6-11H,5H2,2-3H3,(H,22,26)InChIKey
ZURMFGOUVKHGMB-UHFFFAOYSA-NSynonyms
CCC(C)(C#C)NC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)(N+)(=O)(O)
CCC(NC(=O)c1ccc2c(c1(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)(C#C)C
InChI=1SC21H16N2O5c1421(352)2220(26)1511101416(17(15)23(27)28)19(25)13976812(13)18(14)24h1611H5H223H3(H2226)
MFCD03855634
N(1ETHYL1METHYLPROP2YN1YL)1NITRO910DIOXO910DIHYDROANTHRACENE2CARBOXAMIDE
N(1ETHYL1METHYLPROP2YNYL)(1NITRO910DIOXO(2ANTHRYL))CARBOXAMIDE
N(3methylpent1yn3yl)1nitro910dioxo910dihydroanthracene2carboxamide
N(3METHYLPENT1YN3YL)1NITRO910DIOXOANTHRACENE2CARBOXAMIDE
ZINC000004601894
ZINC000004601895
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