Vitas-M small molecule compound

7-(1,3-benzodioxol-5-yl)-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

Catalog ID
STK499442
SMILES CSc1nn2c(n1)NC(=CC2c1ccc2c(c1)OCO2)C(=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 C14H12N4O4S MW 332.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N4O4S/c1-23-14-16-13-15-8(12(19)20)5-9(18(13)17-14)7-2-3-10-11(4-7)22-6-21-10/h2-5,9H,6H2,1H3,(H,19,20)(H,15,16,17)
InChIKey
JMITZQOWHUZLPU-UHFFFAOYSA-N
Synonyms
1040714-64-4
1040714644
7(13benzodioxol5yl)2(methylsulfanyl)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(13benzodioxol5yl)2methylsulfanyl17dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(benzo(d)(13)dioxol5yl)2(methylthio)47dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
CSC1=NC2=NC(=CC(N2N1)C3=CC4=C(C=C3)OCO4)C(=O)O
InChI=1SC14H12N4O4Sc123141613158(12(19)20)59(18(13)1714)7231011(47)2262110h259H6H21H3(H1920)(H151617)
MFCD11855750
ZINC000101611215
ZINC000101611222

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Available files

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