Vitas-M small molecule compound

phenyl(phthalazin-1-ylsulfanyl)acetic acid

Catalog ID
STL197977
SMILES OC(=O)C(c1ccccc1)Sc1nncc2c1cccc2

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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 C16H12N2O2S MW 296.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O2S/c19-16(20)14(11-6-2-1-3-7-11)21-15-13-9-5-4-8-12(13)10-17-18-15/h1-10,14H,(H,19,20)
InChIKey
NBDVCFGPFZHFGK-UHFFFAOYSA-N
Synonyms
95647-35-1
2PHENYL2PHTHALAZIN1YLSULFANYLACETICACID
2PHENYL2PHTHALAZINYLTHIOACETICACID
95647351
C1=CC=C(C=C1)C(C(=O)O)SC2=NN=CC3=CC=CC=C32
InChI=1SC16H12N2O2Sc1916(20)14(116213711)211513954812(13)10171815h11014H(H1920)
MFCD00723584
phenyl(phthalazin1ylsulfanyl)aceticacid
ZINC000000128026
ZINC000004070281

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Available files

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