Vitas-M small molecule compound

4-[(1,3-benzoxazol-2-ylsulfanyl)methyl]benzoic acid

Catalog ID
STK523491
SMILES OC(=O)c1ccc(cc1)CSc1nc2c(o1)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 C15H11NO3S MW 285.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11NO3S/c17-14(18)11-7-5-10(6-8-11)9-20-15-16-12-3-1-2-4-13(12)19-15/h1-8H,9H2,(H,17,18)
InChIKey
XCKAGLDDLJTRBV-UHFFFAOYSA-N
Synonyms

4((13benzoxazol2ylsulfanyl)methyl)benzoicacid
4((13BENZOXAZOL2YLTHIO)METHYL)BENZOICACID
4(13BENZOXAZOL2YLSULFANYLMETHYL)BENZOICACID
4(BENZOOXAZOL2YLSULFANYLMETHYL)BENZOICACID
4(BENZOXAZOL2YLTHIOMETHYL)BENZOICACID
C1=CC=C2C(=C1)N=C(O2)SCC3=CC=C(C=C3)C(=O)O
InChI=1SC15H11NO3Sc1714(18)117510(6811)920151612312413(12)1915h18H9H2(H1718)
MFCD01896066
ZINC000000133899
ZINC133899

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Available files

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