Vitas-M small molecule compound

7-(4-hydroxyphenyl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Catalog ID
STK499432
SMILES CSc1nc2n(n1)C(C=C(N2)C(=O)O)c1ccc(cc1)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 C13H12N4O3S MW 304.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N4O3S/c1-21-13-15-12-14-9(11(19)20)6-10(17(12)16-13)7-2-4-8(18)5-3-7/h2-6,10,18H,1H3,(H,19,20)(H,14,15,16)
InChIKey
WEWWJBGNXFJGTI-UHFFFAOYSA-N
Synonyms
1010881-16-9
1010881169
7(4hydroxyphenyl)2(methylsulfanyl)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(4hydroxyphenyl)2(methylthio)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(4hydroxyphenyl)2methylsulfanyl17dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
CSC1=NC2=NC(=CC(N2N1)C3=CC=C(C=C3)O)C(=O)O
InChI=1SC13H12N4O3Sc121131512149(11(19)20)610(17(12)1613)7248(18)537h261018H1H3(H1920)(H141516)
MFCD11855742
ZINC000012389677
ZINC000012389678

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Available files

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