Vitas-M small molecule compound
ethyl N-[(1-nitro-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonyl]-D-phenylalaninate
Catalog ID
STK776483
SMILES CCOC(=O)[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1c(C2=O)cccc1)Cc1ccccc1
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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 C26H20N2O7 MW 472.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20N2O7/c1-2-35-26(32)20(14-15-8-4-3-5-9-15)27-25(31)19-13-12-18-21(22(19)28(33)34)24(30)17-11-7-6-10-16(17)23(18)29/h3-13,20H,2,14H2,1H3,(H,27,31)/t20-/m1/s1InChIKey
MCIUTAXTIKVQOC-HXUWFJFHSA-NSynonyms
CCOC(=O)(C@H)(NC(=O)c1ccc2c(c1(N+)(=O)(O))C(=O)c1c(C2=O)cccc1)Cc1ccccc1
CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)(N+)(=O)(O)
ETHYL(2R)2((1NITRO910DIOXOANTHRACENE2CARBONYL)AMINO)3PHENYLPROPANOATE
ethylN((1nitro910dioxo910dihydroanthracen2yl)carbonyl)Dphenylalaninate
InChI=1SC26H20N2O7c123526(32)20(14158435915)2725(31)1913121821(22(19)28(33)34)24(30)1711761016(17)23(18)29h31320H214H21H3(H2731)t20m1s1
MFCD13372208
ZINC000012413616
ZINC12413616
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