Vitas-M small molecule compound

({5-[3-(acetylamino)phenyl]-4-methyl-4H-1,2,4-triazol-2-ium-3-yl}sulfanyl)acetate

Catalog ID
STL151203
SMILES [O-]C(=O)CSc1[nH+]nc(n1C)c1cccc(c1)NC(=O)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 C13H14N4O3S MW 306.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O3S/c1-8(18)14-10-5-3-4-9(6-10)12-15-16-13(17(12)2)21-7-11(19)20/h3-6H,7H2,1-2H3,(H,14,18)(H,19,20)
InChIKey
UYDWBBSPDNBHSS-UHFFFAOYSA-N
Synonyms
445422-41-3
((5(3(acetylamino)phenyl)4methyl4H124triazol2ium3yl)sulfanyl)acetate
((5(3(ACETYLAMINO)PHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)ACETICACID
(O)C(=O)CSc1(nH+)nc(n1C)c1cccc(c1)NC(=O)C
2((5(3ACETAMIDOPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)ACETICACID
445422413
CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)O
InChI=1SC13H14N4O3Sc18(18)14105349(610)12151613(17(12)2)21711(19)20h36H7H212H3(H1418)(H1920)
MFCD02761521
ZINC95112

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Available files

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