Vitas-M small molecule compound

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

Catalog ID
STK642227
SMILES COC(=O)c1ccc(cc1)C1C=C(N=c2n1nc([nH]2)SC)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 C15H14N4O4S MW 346.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N4O4S/c1-23-13(22)9-5-3-8(4-6-9)11-7-10(12(20)21)16-14-17-15(24-2)18-19(11)14/h3-7,11H,1-2H3,(H,20,21)(H,16,17,18)
InChIKey
SUNGOSCPSSIAQW-UHFFFAOYSA-N
Synonyms
1040702-01-9
1040702019
7(4(methoxycarbonyl)phenyl)2(methylsulfanyl)37dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
7(4methoxycarbonylphenyl)2methylsulfanyl17dihydro(124)triazolo(15a)pyrimidine5carboxylicacid
COC(=O)C1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)SC)C(=O)O
COC(=O)c1ccc(cc1)C1C=C(N=c2n1nc((nH)2)SC)C(=O)O
InChI=1SC15H14N4O4Sc12313(22)9538(469)11710(12(20)21)16141715(242)1819(11)14h3711H12H3(H2021)(H161718)
MFCD18162908
ZINC000101446992
ZINC000101446996

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Available files

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