Vitas-M small molecule compound
ethyl 3-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
Catalog ID
STK161277
SMILES CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)/C=C/1\C(=O)c2c(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 C25H21NO4 MW 399.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21NO4/c1-4-30-25(29)17-8-7-9-19(13-17)26-15(2)12-18(16(26)3)14-22-23(27)20-10-5-6-11-21(20)24(22)28/h5-14H,4H2,1-3H3InChIKey
RRFYTNJZAKXYFA-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC(=CC=C1)N2C(=CC(=C2C)C=C3C(=O)C4=CC=CC=C4C3=O)C
CCOC(=O)c1cccc(c1)n1c(C)cc(c1C)C=C1C(=O)c2c(C1=O)cccc2
ETHYL3(3((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOATE
ETHYL3(3((13DIOXOINDEN2YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOATE
InChI=1SC25H21NO4c143025(29)1787919(1317)2615(2)1218(16(26)3)142223(27)2010561121(20)24(22)28h514H4H213H3
MFCD02629187
ZINC000000636696
ZINC00636696
ZINC636696
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