Vitas-M small molecule compound

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

Catalog ID
STL193972
SMILES OC(=O)CSc1nnc(n1C)Cc1ccccc1

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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 C12H13N3O2S MW 263.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13N3O2S/c1-15-10(7-9-5-3-2-4-6-9)13-14-12(15)18-8-11(16)17/h2-6H,7-8H2,1H3,(H,16,17)
InChIKey
JBADIAAIHVTSEM-UHFFFAOYSA-N
Synonyms
436089-05-3
((5benzyl4methyl4H124triazol3yl)sulfanyl)aceticacid
(5BENZYL4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETICACID
2((5BENZYL4METHYL124TRIAZOL3YL)SULFANYL)ACETICACID
436089053
CN1C(=NN=C1SCC(=O)O)CC2=CC=CC=C2
InChI=1SC12H13N3O2Sc11510(79532469)131412(15)18811(16)17h26H78H21H3(H1617)
MFCD02091603
ZINC000000411898
ZINC411898

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Available files

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