Vitas-M small molecule compound

{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Catalog ID
STK122965
SMILES COc1ccc(cc1)c1nnc(n1C)SCC(=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 C12H13N3O3S MW 279.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O3S/c1-15-11(8-3-5-9(18-2)6-4-8)13-14-12(15)19-7-10(16)17/h3-6H,7H2,1-2H3,(H,16,17)
InChIKey
TWHALQNZWANDLP-UHFFFAOYSA-N
Synonyms
309741-56-8
((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETICACID
((5(4METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETICACID
((5(4METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)THIO)ACETICACID
(5(4METHOXYPHENYL)4METHYL4H(124)TRIAZOL
(5(4METHOXYPHENYL)4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETICACID
2(5(4METHOXYPHENYL)4METHYL124TRIAZOL3YLTHIO)ACETICACID
3(CARBOXYMETHYLTHIO)5(4METHOXYPHENYL)4METHYL4H124TRIAZOLE
309741568
CN1C(=NN=C1SCC(=O)O)C2=CC=C(C=C2)OC
InChI=1SC12H13N3O3Sc11511(8359(182)648)131412(15)19710(16)17h36H7H212H3(H1617)
MFCD01630006
ZINC000000032552
ZINC32552

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Available files

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