Vitas-M small molecule compound

methyl 4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-3-methylbenzoate

Catalog ID
STK161276
SMILES COC(=O)c1ccc(c(c1)C)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/c1-14-11-17(25(29)30-4)9-10-22(14)26-15(2)12-18(16(26)3)13-21-23(27)19-7-5-6-8-20(19)24(21)28/h5-13H,1-4H3
InChIKey
FKHATEQSSCACRX-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)OC)C)C)C=C3C(=O)C4=CC=CC=C4C3=O
COC(=O)c1ccc(c(c1)C)n1c(C)cc(c1C)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC25H21NO4c1141117(25(29)304)91022(14)2615(2)1218(16(26)3)132123(27)19756820(19)24(21)28h513H14H3
METHYL4(3((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)3METHYLBENZOATE
METHYL4(3((13DIOXOINDEN2YLIDENE)METHYL)25DIMETHYLPYRROL1YL)3METHYLBENZOATE
MFCD02629185
ZINC000000636690
ZINC00636690
ZINC636690

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Available files

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