Vitas-M small molecule compound

3-[(2,3-dihydro-1H-inden-5-ylcarbamoyl)amino]-4-methylbenzoic acid

Catalog ID
STK490648
SMILES O=C(Nc1cc(ccc1C)C(=O)O)Nc1ccc2c(c1)CCC2

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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 C18H18N2O3 MW 310.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O3/c1-11-5-6-14(17(21)22)10-16(11)20-18(23)19-15-8-7-12-3-2-4-13(12)9-15/h5-10H,2-4H2,1H3,(H,21,22)(H2,19,20,23)
InChIKey
ZYXWRTPWRRULDB-UHFFFAOYSA-N
Synonyms

3((23dihydro1Hinden5ylcarbamoyl)amino)4methylbenzoicacid
3((INDAN5YLAMINO)CARBONYLAMINO)4METHYLBENZOICACID
3(23dihydro1Hinden5ylcarbamoylamino)4methylbenzoicacid
CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC3=C(CCC3)C=C2
InChI=1SC18H18N2O3c1115614(17(21)22)1016(11)2018(23)1915871232413(12)915h510H24H21H3(H2122)(H2192023)
MFCD09778559
ZINC000020395692
ZINC20395692

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.