Vitas-M small molecule compound
2-[(4-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}phenoxy)methyl]benzonitrile
Catalog ID
STK161278
SMILES N#Cc1ccccc1COc1ccc(cc1)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 C30H22N2O3 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22N2O3/c1-19-15-23(16-28-29(33)26-9-5-6-10-27(26)30(28)34)20(2)32(19)24-11-13-25(14-12-24)35-18-22-8-4-3-7-21(22)17-31/h3-16H,18H2,1-2H3InChIKey
DMVBKZOFEZQCEQ-UHFFFAOYSA-NSynonyms
2((4(3((13DIOXO13DIHYDRO2HINDEN2YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)PHENOXY)METHYL)BENZONITRILE
2((4(3((13DIOXOINDEN2YLIDENE)METHYL)25DIMETHYLPYRROL1YL)PHENOXY)METHYL)BENZONITRILE
CC1=CC(=C(N1C2=CC=C(C=C2)OCC3=CC=CC=C3C#N)C)C=C4C(=O)C5=CC=CC=C5C4=O
InChI=1SC30H22N2O3c1191523(162829(33)269561027(26)30(28)34)20(2)32(19)24111325(141224)351822843721(22)1731h316H18H212H3
MFCD02629188
N#Cc1ccccc1COc1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)c2c(C1=O)cccc2
ZINC000004091891
ZINC04091891
ZINC4091891
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