Vitas-M small molecule compound

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

Catalog ID
STK500285
SMILES C=CCn1c(SCC(=O)O)nnc1c1ccccc1

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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 C13H13N3O2S MW 275.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O2S/c1-2-8-16-12(10-6-4-3-5-7-10)14-15-13(16)19-9-11(17)18/h2-7H,1,8-9H2,(H,17,18)
InChIKey
GZZCGBONHJILEF-UHFFFAOYSA-N
Synonyms
18204-57-4
((4ALLYL5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETICACID
((4ALLYL5PHENYL4H124TRIAZOL3YL)THIO)ACETICACID
((5PHENYL4(PROP2EN1YL)124TRIAZOL3YL)SULFANYL)ACETICACID
((5phenyl4(prop2en1yl)4H124triazol3yl)sulfanyl)aceticacid
(4ALLYL5PHENYL4H(124)TRIAZOL3YLSULFANYL
(4ALLYL5PHENYL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
(4ALLYL5PHENYL4H124TRIAZOL3YL)THIO)ACETICACID
18204574
2((4ALLYL5PHENYL4H124TRIAZOL3YL)THIO)ACETICACID
2((5PHENYL4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETICACID
2((5PHENYL4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETICACID
2(5PHENYL4PROP2ENYL124TRIAZOL3YLTHIO)ACETICACID
C=CCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2
InChI=1SC13H13N3O2Sc1281612(106435710)141513(16)19911(17)18h27H189H2(H1718)
MFCD00430301
ZINC000000296771
ZINC296771

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Available files

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