Vitas-M small molecule compound

({5-[2-(propan-2-yloxy)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid

Catalog ID
STK699973
SMILES OC(=O)CSc1nnc([nH]1)c1ccccc1OC(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 C13H15N3O3S MW 293.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O3S/c1-8(2)19-10-6-4-3-5-9(10)12-14-13(16-15-12)20-7-11(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKey
PKQRPTBQWYLOJD-UHFFFAOYSA-N
Synonyms
50616-44-9
((5(2(propan2yloxy)phenyl)4H124triazol3yl)sulfanyl)aceticacid
((5(2ISOPROPOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
((5(2ISOPROPOXYPHENYL)4H124TRIAZOL3YL)THIO)ACETICACID
(5(2ISOPROPOXYPHENYL)4H(124)TRIAZOL3YLS
(5(2ISOPROPOXYPHENYL)4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((5(2isopropoxyphenyl)4H124triazol3yl)thio)aceticacid
2((5(2PROPAN2YLOXYPHENYL)1H124TRIAZOL3YL)SULFANYL)ACETICACID
2(5(2(METHYLETHOXY)PHENYL)4H124TRIAZOL3YLTHIO)ACETICACID
50616449
CC(C)OC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O
InChI=1SC13H15N3O3Sc18(2)191064359(10)121413(161512)20711(17)18h368H7H212H3(H1718)(H141516)
MFCD00423338
OC(=O)CSc1nnc((nH)1)c1ccccc1OC(C)C
ZINC000006492345
ZINC6492345

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Available files

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