Vitas-M small molecule compound

3-[2-(carboxymethyl)-6,6-dimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl]benzoic acid

Catalog ID
STL238458
SMILES OC(=O)Cc1cc2c(n1c1cccc(c1)C(=O)O)CC(CC2=O)(C)C

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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 C19H19NO5 MW 341.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19NO5/c1-19(2)9-15-14(16(21)10-19)7-13(8-17(22)23)20(15)12-5-3-4-11(6-12)18(24)25/h3-7H,8-10H2,1-2H3,(H,22,23)(H,24,25)
InChIKey
JTKCOHCCYVFFHI-UHFFFAOYSA-N
Synonyms
912909-77-4
3(2(carboxymethyl)66dimethyl4oxo4567tetrahydro1Hindol1yl)benzoicacid
3(2(carboxymethyl)66dimethyl4oxo57dihydroindol1yl)benzoicacid
912909774
CC1(CC2=C(C=C(N2C3=CC=CC(=C3)C(=O)O)CC(=O)O)C(=O)C1)C
InChI=1SC19H19NO5c119(2)91514(16(21)1019)713(817(22)23)20(15)1253411(612)18(24)25h37H810H212H3(H2223)(H2425)
MFCD09848065
ZINC000008991525
ZINC8991525

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Available files

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