Vitas-M small molecule compound
3-{[3-(pyrazin-2-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]methyl}benzoic acid
Catalog ID
STK644556
SMILES OC(=O)c1cccc(c1)Cn1c(=S)[nH]nc1c1cnccn1
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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 C14H11N5O2S MW 313.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H11N5O2S/c20-13(21)10-3-1-2-9(6-10)8-19-12(17-18-14(19)22)11-7-15-4-5-16-11/h1-7H,8H2,(H,18,22)(H,20,21)InChIKey
HGNBNVIBCAJRFJ-UHFFFAOYSA-NSynonyms
951970-61-93((3(pyrazin2yl)5thioxo15dihydro4H124triazol4yl)methyl)benzoicacid
3((3pyrazin2yl5sulfanylidene1H124triazol4yl)methyl)benzoicacid
951970619
C1=CC(=CC(=C1)CN2C(=NNC2=S)C3=NC=CN=C3)C(=O)O
InChI=1SC14H11N5O2Sc2013(21)103129(610)81912(171814(19)22)11715451611h17H8H2(H1822)(H2021)
MFCD18163656
OC(=O)c1cccc(c1)Cn1c(=S)(nH)nc1c1cnccn1
ZINC000013730804
ZINC13730804
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