Vitas-M small molecule compound
ethyl 3-(2-chlorophenyl)-3-{[(1-nitro-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonyl]amino}propanoate
Catalog ID
STK773336
SMILES CCOC(=O)CC(c1ccccc1Cl)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1
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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 C26H19ClN2O7 MW 506.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O7/c1-2-36-21(30)13-20(16-9-5-6-10-19(16)27)28-26(33)18-12-11-17-22(23(18)29(34)35)25(32)15-8-4-3-7-14(15)24(17)31/h3-12,20H,2,13H2,1H3,(H,28,33)InChIKey
ZKEKFAKMZQLTFZ-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)(N+)(=O)(O)
CCOC(=O)CC(c1ccccc1Cl)NC(=O)c1ccc2c(c1(N+)(=O)(O))C(=O)c1c(C2=O)cccc1
ethyl3(2chlorophenyl)3(((1nitro910dioxo910dihydroanthracen2yl)carbonyl)amino)propanoate
ETHYL3(2CHLOROPHENYL)3((1NITRO910DIOXOANTHRACENE2CARBONYL)AMINO)PROPANOATE
InChI=1SC26H19ClN2O7c123621(30)1320(169561019(16)27)2826(33)1812111722(23(18)29(34)35)25(32)15843714(15)24(17)31h31220H213H21H3(H2833)
MFCD03821640
ZINC000012413277
ZINC000012413278
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