Vitas-M small molecule compound

5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid

Catalog ID
STK349641
SMILES CC1CCc2c(C1)c(no2)C(=O)O

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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 C9H11NO3 MW 181.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H11NO3/c1-5-2-3-7-6(4-5)8(9(11)12)10-13-7/h5H,2-4H2,1H3,(H,11,12)
InChIKey
JEQXRRWEGDTRIC-UHFFFAOYSA-N
Synonyms
832737-91-4
5methyl4567tetrahydro12benzoxazole3carboxylicacid
832737914
CC1CCC2=C(C1)C(=NO2)C(=O)O
InChI=1SC9H11NO3c152376(45)8(9(11)12)10137h5H24H21H3(H1112)
MFCD04969898
ZINC000000818995
ZINC000000818996

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Available files

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